SCHEMBL10537816

SCHEMBL10537816

CCCOc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.78
OPRM1 P35372 6/20 0.78
OPRK1 P41145 4/20 0.78
MRGPRX2 Q96LB1 4/20 0.78
ADRB1 P08588 1/20 0.78
PDE4D Q08499 1/20 0.78
PDE3A Q14432 1/20 0.78
SLC22A1 O15245 1/20 0.69
ADRA2A P08913 1/20 0.69
ARRB1 P49407 1/20 0.69

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
SCHEMBL11503572 0.93 OPRD1 (0.78) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL25330324 0.93 OPRD1 (0.78) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Ethylmorphine SCHEMBL29392212 0.93 OPRD1 (0.80) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Ethylmorphine SCHEMBL15757784 0.93 OPRD1 (0.80) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Ethylmorphine SCHEMBL16922138 0.93 OPRD1 (0.80) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Ethylmorphine SCHEMBL14611951 0.93 OPRD1 (0.80) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Ethylmorphine SCHEMBL15653227 0.93 OPRD1 (0.80) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Ethylmorphine SCHEMBL14516212 0.93 OPRD1 (0.80) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Ethylmorphine SCHEMBL24971 0.93 OPRD1 (0.80) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Ethylmorphine SCHEMBL18770594 0.93 OPRD1 (0.80) OPRD1OPRM1OPRK1MRGPRX2ADRB1

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-4795813-A Synthesis of derivatives of codeine and other 3-O-alkylmorphines THE FLORIDA BOARD OF REGENTS ON BEHALF OF THE FLORIDA STATE UNIVERSITY (US) 1989-01-03 US disclosed
US-4472253-A Process for the preparation of an N-substituted 3-O-alkyl-14-hydroxynormorphinone derivative THE FLORIDA BOARD OF REGENTS ON BEHALF OF THE FLORIDA STATE UNIVERSITY (US) 1984-09-18 US disclosed