SCHEMBL9634037

SCHEMBL9634037

Fc1ccc(N(Cc2ccccc2)Cc2cccnc2)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.64
PKM P14618 1/20 0.45
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
TP53 P04637 3/20 0.43
POLB P06746 1/20 0.43
NR1D1 P20393 2/20 0.42
NR1H3 Q13133 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR3C1 P04150 1/20 0.40
IDO1 P14902 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL856088 0.87 NR3C1 (0.47) CYP3A4POLBALDH1A1SMN1; SMN2NR3C1
SCHEMBL10558022 0.76 CYP3A4 (0.83) CYP3A4PKMCHRNB2CHRNA4ALDH1A1
SCHEMBL10560245 0.76 CYP3A4 (0.67) CYP3A4
SCHEMBL10986334 0.75 MAPK1 (0.49) CYP3A4CHRNB2CHRNA4TP53POLB
SCHEMBL10561478 0.75 CYP3A4 (0.65) CYP3A4PKMCHRNB2CHRNA4ALDH1A1
SCHEMBL10557482 0.75 CYP3A4 (0.62) CYP3A4PKM
SCHEMBL10980502 0.74 CHRNB2 (0.49) CYP3A4CHRNB2CHRNA4NR1D1NR1H3
SCHEMBL10622592 0.73 CYP3A4 (0.47) CYP3A4PKMCHRNB2CHRNA4TP53
SCHEMBL9288362 0.72 CYP3A4 (0.54) CYP3A4CHRNB2CHRNA4TP53NR1H3
SCHEMBL10561440 0.71 CYP3A4 (0.58) CYP3A4PKMALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516278-A1 Use of anti-mullerian hormone for reversal of female sexual phenotype in poultry MERCK & CO. INC. (US) 1992-12-02 EP claimed
EP-0514015-A1 Control of sex differentiation in fish MERCK & CO. INC. (US) 1992-11-19 EP claimed
US-5162337-A Administering Steroid Biosynthesis Inhibitors MERCK & CO., INC. (US) 1992-11-10 US claimed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO claimed
EP-0479570-A2 Animal growth promotion with aromatase inhibitors MERCK & CO. INC. (US) 1992-04-08 EP claimed
EP-0433084-A2 Use of aromatese inhibitors for the reversal of female sexual phenotype in poultry MERCK & CO. INC. (US) 1991-06-19 EP claimed
US-4774251-A PYRIDINE ALKYLAMINES OR PYRAZINE ALKYLAMINE DERIVATIVRES ELI LILLY AND COMPANY (US) 1988-09-27 US claimed
US-4552960-A N,N-DISUBSTITUTED HETEROCYCLIC AMINES ELI LILLY AND COMPANY (US) 1985-11-12 US claimed
EP-0129433-A2 Amines as fungicidal agents ELI LILLY AND COMPANY (US) 1984-12-27 EP claimed
EP-0516278-A1 Use of anti-mullerian hormone for reversal of female sexual phenotype in poultry MERCK & CO. INC. (US) 1992-12-02 EP disclosed
EP-0514015-A1 Control of sex differentiation in fish MERCK & CO. INC. (US) 1992-11-19 EP disclosed
US-5162337-A Administering Steroid Biosynthesis Inhibitors MERCK & CO., INC. (US) 1992-11-10 US disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO disclosed
EP-0479570-A2 Animal growth promotion with aromatase inhibitors MERCK & CO. INC. (US) 1992-04-08 EP disclosed
EP-0433084-A2 Use of aromatese inhibitors for the reversal of female sexual phenotype in poultry MERCK & CO. INC. (US) 1991-06-19 EP disclosed
US-4552960-A N,N-DISUBSTITUTED HETEROCYCLIC AMINES ELI LILLY AND COMPANY (US) 1985-11-12 US disclosed
EP-0129433-A2 Amines as fungicidal agents ELI LILLY AND COMPANY (US) 1984-12-27 EP disclosed