SCHEMBL7355465

SCHEMBL7355465

CCC(c1cccc(C(=O)OC)c1)C1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.41
PARP1 P09874 1/20 0.40
MAPK1 P28482 2/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CASR P41180 1/20 0.38
CMA1 P23946 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ROCK2 O75116 1/20 0.37
PKN2 Q16513 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7353503 0.91 CASR (0.41) ACP1PARP1MAPK1OPRK1MEN1
SCHEMBL7346637 0.85 PARP1 (0.42) ACP1PARP1MAPK1OPRK1MEN1
SCHEMBL7353887 0.80 EED (0.52) MAPK1MEN1ALDH1A1KMT2ASLC6A4
SCHEMBL7349510 0.80 SLC6A3 (0.39) SLC6A4SLC6A3
SCHEMBL7354541 0.78 OPRM1 (0.41) ACP1OPRK1KMT2ASLC6A4
SCHEMBL7352583 0.75 DRD3 (0.51) SLC6A4SLC6A3
Bromide SCHEMBL7596622 0.75 CDK7 (0.38) ACP1SLC6A4SLC6A3
SCHEMBL7352160 0.74 SLC6A2 (0.34) SLC6A4SLC6A3
SCHEMBL231800 0.73 DRD2 (0.51)
SCHEMBL30488766 0.73 DRD2 (0.51)

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
US-5594024-A ANTIDEPRESSANTS; TREATMENT OF NARCOLEPSY, SCHIZOPHRENIA, DRUG ABUSE THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
US-5462947-A Nervous system disorders THE UPJOHN COMPANY (US) 1995-10-31 US disclosed
EP-0641320-A1 NEW CENTRALLY ACTING SUBSTITUTED PHENYLAZACYCLOALKANES PHARMACIA & UPJOHN COMPANY (US) 1995-03-08 EP disclosed
WO-1992018475-A2 SUBSTITUTED PHENYLAZACYCLOALKANES AS CNS AGENTS THE UPJOHN COMPANY (US) 1992-10-29 WO disclosed