SCHEMBL11204348

SCHEMBL11204348

OC1(c2ccccc2Cc2ccccc2)CCN(CC2CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.55
OPRM1 P35372 7/20 0.55
OPRK1 P41145 6/20 0.55
OPRD1 P41143 3/20 0.55
POLB P06746 1/20 0.44
SIGMAR1 Q99720 4/20 0.41
CCR3 P51677 1/20 0.41
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39

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
Hydrochloric Acid SCHEMBL11199939 0.99 OPRL1 (0.54) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL11206162 0.84 OPRL1 (0.65) OPRL1POLBSIGMAR1CCR3KDM4E
Hydrochloric Acid SCHEMBL11199734 0.83 OPRL1 (0.64) OPRL1POLBSIGMAR1CCR3KDM4E
SCHEMBL11195174 0.79 OPRL1 (0.77) OPRL1OPRM1POLBSIGMAR1CCR3
SCHEMBL11840691 0.78 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL11193563 0.78 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1POLB
Hydrochloric Acid SCHEMBL11193622 0.78 OPRL1 (0.75) OPRL1OPRM1POLBSIGMAR1CCR3
SCHEMBL11195132 0.76 ALDH1A1 (0.44) OPRL1OPRD1KDM4EKMT2A
SCHEMBL11206538 0.75 OPRL1 (0.47) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL3119581 0.74 OPRM1 (0.45) OPRL1OPRM1OPRK1OPRD1SIGMAR1

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-4414219-A ANTICONVULSANTS, TRANQUILIZERS, ANALGESTICS AMERICAN HOECHST CORPORATION (US) 1983-11-08 US claimed
US-4414219-A ANTICONVULSANTS, TRANQUILIZERS, ANALGESTICS AMERICAN HOECHST CORPORATION (US) 1983-11-08 US disclosed
US-4311703-A PYRROLIDINE AND PIPERIDINE DERIVATIVES AMERICAN HOECHST CORPORATION (US) 1982-01-19 US disclosed
US-4241071-A Antidepressant (α-phenyl-2-tolyl)azacycloalkanes AMERICAN HOECHST CORPORATION (US) 1980-12-23 US disclosed