SCHEMBL8540445

SCHEMBL8540445

Brc1ccc2[nH]cc(Cc3cccnc3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.63
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR2A P28223 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
CSNK2A1 P68400 1/20 0.49
SNCA P37840 1/20 0.47
SLC6A4 P31645 2/20 0.45
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
IDO1 P14902 1/20 0.44
HTR1A P08908 2/20 0.44
SPR P35270 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL22151988 0.89 CHRNB2 (0.50) GPR84MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8657374 0.84 GPR84 (0.63) GPR84KMT2APKMHTR2ATRPM8
SCHEMBL8658685 0.84 GAA (0.56) MEN1KMT2AHTR2ASNCASLC6A4
SCHEMBL5725721 0.84 GPR84 (0.63) GPR84KMT2AHTR2ATRPM8SLC6A4
SCHEMBL28547448 0.83 GPR84 (0.75) GPR84MEN1KMT2ACYP3A4HTR2A
SCHEMBL31744847 0.81 GPR84 (0.73) GPR84MEN1KMT2ACYP3A4HTR2A
SCHEMBL5870915 0.81 MEN1 (0.68) GPR84MEN1KMT2ACYP3A4PKM
SCHEMBL8658847 0.81 GPR84 (0.66) GPR84CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8656583 0.81 SLC6A4 (0.48) SNCASLC6A4HTR1A
Hydrochloric Acid SCHEMBL8658852 0.80 GPR84 (0.64) GPR84CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834493-A TREATMENT OF NERVOUS SYSTEM DISORDERS GIL QUINTERO MYRNA (IT) 1998-11-10 US disclosed
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP disclosed
US-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US disclosed
CN-1124960-A Indole derivatives as 5-HT1A and/or 5-HT2 ligands BOEHRINGER INGELHEIM ITALIA (IT) 1996-06-19 CN disclosed
EP-0694033-A1 INDOLE DERIVATIVES AS 5-HT1A AND/OR 5-HT2 LIGANDS BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1996-01-31 EP disclosed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO disclosed
WO-1994024125-A1 INDOLE DERIVATIVES AS 5-HT1A AND/OR 5-HT2 LIGANDS BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1994-10-27 WO disclosed