SCHEMBL7943360

SCHEMBL7943360

CN1CCN(c2cccc3[nH]c(C(=O)O)cc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.56
HTR6 P50406 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
AHR P35869 1/20 0.46
CHRNA7 P36544 1/20 0.46
KMT2A Q03164 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46

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
SCHEMBL7951116 0.88 HRH4 (0.55) HRH4HTR6KDM4EALDH1A1HSD17B10
SCHEMBL7953632 0.86 HRH4 (0.54) HRH4HTR6KDM4EALDH1A1MEN1
SCHEMBL7951576 0.86 HRH4 (0.51) HRH4HTR6
SCHEMBL7943312 0.83 HRH4 (0.48) HRH4KDM4EALDH1A1HSD17B10MEN1
SCHEMBL8818586 0.81 TMEM97 (0.50) HRH4HTR6ALDH1A1HSD17B10MEN1
SCHEMBL7943371 0.81 MEN1 (0.48) HRH4HTR6KDM4EALDH1A1MEN1
SCHEMBL7951552 0.81 DRD2 (0.53) HRH4HTR6KDM4EALDH1A1MEN1
SCHEMBL7950995 0.81 KMT2A (0.61) HRH4KDM4EALDH1A1MEN1MAPK1
SCHEMBL7950988 0.81 KMT2A (0.61) HRH4KDM4EALDH1A1MEN1MAPK1
SCHEMBL7950985 0.81 KMT2A (0.61) HRH4KDM4EALDH1A1MEN1MAPK1

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-0773942-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1997-05-21 EP claimed
WO-1996003400-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-02-08 WO claimed
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-1996041802-A1 NOVEL HETEROAROMATIC PIPERAZINES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-12-27 WO disclosed
WO-1996003400-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-02-08 WO disclosed