SCHEMBL8784145

SCHEMBL8784145

COC(=O)CC1Cc2ccccc2C(=O)N1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
CAPN1 P07384 1/20 0.43
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H2 P55055 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CASP7 P55210 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MTNR1A P48039 3/20 0.41

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
SCHEMBL10994281 0.83 TSHR (0.49) TSHRMEN1ALDH1A1HPGDKMT2A
SCHEMBL11360254 0.83 TSHR (0.49) TSHRMEN1ALDH1A1HPGDKMT2A
SCHEMBL15865532 0.77 KCNA5 (0.45) TSHRCAPN1MEN1ALDH1A1MAPT
SCHEMBL27389863 0.76 TSHR (0.41) TSHRCAPN1MEN1APAF1ALDH1A1
SCHEMBL8784223 0.75 KMT2A (0.50) TSHRMEN1APAF1ALDH1A1MAPT
SCHEMBL31705786 0.75 HDAC1 (0.48) TSHRCAPN1MEN1KMT2ANR1H2
SCHEMBL11990398 0.70 SIGMAR1 (0.47) TSHRALDH1A1NR1H2
SCHEMBL9867028 0.70 MTNR1A (0.48) ALDH1A1KDM4EGAANPSR1MTNR1A
SCHEMBL31374607 0.70 METAP1 (0.55) MTNR1A
SCHEMBL9938389 0.70 METAP1 (0.55) MTNR1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674625-B1 AMINO-SUBSTITUTED PYRAZOLES HAVING CRF ANTAGONISTIC ACTIVITY PFIZER (US) 1997-12-10 EP disclosed
CN-1036456-C Amino-substituted pyrazoles 1997-11-19 CN disclosed
US-5668145-A Amino-substituted pyrazoles having CRF antagonistic activity PFIZER INC. (US) 1997-09-16 US disclosed
EP-0674625-A1 AMINO-SUBSTITUTED PYRAZOLES HAVING CRF ANTAGONISTIC ACTIVITY PFIZER INC. (US) 1995-10-04 EP disclosed
CN-1094038-A The amino pyrazoles that replaces PFIZER (US) 1994-10-26 CN disclosed
WO-1994013644-A1 AMINO-SUBSTITUTED PYRAZOLES HAVING CRF ANTAGONISTIC ACTIVITY PFIZER INC. (US) 1994-06-23 WO disclosed