SCHEMBL7943312

SCHEMBL7943312

CCOC(=O)c1cc2c(N3CCN(C)CC3)cccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.48
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7953632 0.87 HRH4 (0.54) HRH4KDM4EALDH1A1MEN1KMT2A
SCHEMBL8818586 0.87 TMEM97 (0.50) HRH4ALDH1A1MEN1GAAKMT2A
SCHEMBL7949983 0.86 HTR1A (0.43) HRH4ALDH1A1MEN1LMNAGAA
SCHEMBL7953606 0.84 OPRL1 (0.50) HRH4ALDH1A1GAAMAPT
SCHEMBL7953556 0.83 TMEM97 (0.45) HRH4ALDH1A1RAB9ANPC1GAA
SCHEMBL7943407 0.83 MMP9 (0.50) HRH4ALDH1A1MEN1LMNAGAA
SCHEMBL7943360 0.83 HRH4 (0.56) HRH4KDM4EALDH1A1HPGDMEN1
SCHEMBL7951610 0.82 HTR1A (0.44) ALDH1A1HPGDMEN1GAAMAPT
SCHEMBL7949893 0.82 MMP12 (0.50) HRH4
SCHEMBL7951116 0.82 HRH4 (0.55) HRH4KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255306-B1 PSYCHOLOGICAL DISORDERS MACOR JOHN E (US) 2001-07-03 US disclosed
EP-0773942-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1997-05-21 EP disclosed
WO-1996003400-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-02-08 WO disclosed