SCHEMBL11188082

SCHEMBL11188082

OC1(c2ccccc2)CC=NCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 14/20 0.42
▸ OPRM1 P35372 9/20 0.42
▸ OPRK1 P41145 9/20 0.42
▸ OPRD1 P41143 7/20 0.39
▸ POLB P06746 1/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ GRIN2B Q13224 1/20 0.34

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
SCHEMBL42581 0.79 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL28218849 0.76 OPRM1 (0.42) OPRL1OPRM1OPRK1CYP2D6CYP2C9
SCHEMBL4277748 0.76 OPRL1 (0.44) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL7815717 0.71 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL10060840 0.71 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL20271883 0.68 OPRL1 (0.36) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL1724862 0.68 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL1109741 0.68 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL19458977 0.68 OPRL1 (0.47) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL28524217 0.68 OPRL1 (0.47) OPRL1OPRM1OPRK1OPRD1POLB

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
EP-0027928-B1 PIPERIDINE DERIVATIVES OF 4,5-DIALKYL-3-HYDROXY-PYRROLE-2-CARBOXYLIC ACID ESTERS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1983-03-09 — — EP disclosed
EP-0027928-A2 Piperidine derivatives of 4,5-dialkyl-3-hydroxy-pyrrole-2-carboxylic acid esters, their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1981-05-06 — — EP disclosed
Send feedback