SCHEMBL11367266

SCHEMBL11367266

O=C(OCc1ccccc1)N1CCC2(CC1)CN(c1ccccc1)C(=O)O2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.60
SIGMAR1 Q99720 2/20 0.60
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 1/20 0.48
NPY5R Q15761 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
OPRK1 P41145 4/20 0.46
KCNH2 Q12809 2/20 0.46
ADRA1A P35348 1/20 0.46
SSTR5 P35346 4/20 0.45
HTR1A P08908 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
SCHEMBL3232374 0.93 OPRM1 (0.52) OPRM1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL11368574 0.93 OPRM1 (0.52) OPRM1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL3233651 0.90 OPRM1 (0.49) OPRM1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL11363005 0.90 OPRM1 (0.49) OPRM1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL11372478 0.89 SSTR5 (0.50) OPRM1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL3229133 0.88 SIGMAR1 (0.51) OPRM1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL3007287 0.88 OPRM1 (0.47) OPRM1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL2255568 0.86 SSTR5 (0.49) OPRM1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL2454627 0.85 KMT2A (0.46) OPRM1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL11363329 0.85 MEN1 (0.53) OPRM1SIGMAR1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4255432-A ANTIHYPERTENSIVE AGENTS, ANTIHISTAMINES, BRONCHODILATOR AGENTS, ANTIVASOSPASTIC AGENTS SYNTEX (U.S.A.) INC. (US) 1981-03-10 US disclosed
US-4244961-A 1-Oxa-3,8-diazaspiro[4.5]decan-2-ones antihypertensive agents SYNTEX (U.S.A.) INC. (US) 1981-01-13 US disclosed