SCHEMBL7550128

SCHEMBL7550128

Cc1ccc(Cl)cc1CCC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
TAAR1 Q96RJ0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 2/20 0.34
USP2 O75604 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
SLC22A1 O15245 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
HSPD1 P10809 1/20 0.34
HSPA5 P11021 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL21728222 0.81 CYP3A4 (0.39) CYP3A4TAAR1SMN1; SMN2TP53MRGPRX4
SCHEMBL6447941 0.81 CYP3A4 (0.42) CYP3A4SMN1; SMN2TP53MRGPRX4POLB
SCHEMBL98215 0.81 TAAR1 (0.57) TAAR1TP53POLBGAAUSP2
SCHEMBL27860623 0.81 TDP1 (0.41) CYP3A4SMN1; SMN2TP53POLBLMNA
SCHEMBL25192903 0.78 NOS3 (0.37) CYP3A4SMN1; SMN2LMNAUSP2TDP1
SCHEMBL29952456 0.78 CYP3A4 (0.38) CYP3A4TAAR1SMN1; SMN2TP53GAA
SCHEMBL7519481 0.78 ALOX15 (0.57) CYP3A4SMN1; SMN2POLBLMNAUSP2
SCHEMBL21157263 0.77 KDM4E (0.42) CYP3A4SMN1; SMN2POLBGAAHTR2A
SCHEMBL585624 0.77 IDO1 (0.50) CYP3A4TAAR1TDP1IDO1HPGD
SCHEMBL16245816 0.76 TAAR1 (0.35) TAAR1SMN1; SMN2TP53LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657427-B1 Tricyclic indole-2-carboxylic acid derivatives being selective antagonists of the NMDA receptor SUMITOMO PHARMA (JP) 2002-06-19 EP disclosed
CN-1061034-C Tricyclic indole-2-carboxylic acid derivatives SUMITOMO PHARMA (JP) 2001-01-24 CN disclosed
US-5496843-A Tricyclic indole-2-carboxylic acid derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-03-05 US disclosed
EP-0657427-A1 Tricyclic indole-2-carboxylic acid derivatives being selective antagonists of the NMDA receptor SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-06-14 EP disclosed