SCHEMBL27557540

SCHEMBL27557540

CN1CC[C@]23c4c5ccc(OCc6cccnc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.67
▸ OPRM1 P35372 7/20 0.67
▸ OPRK1 P41145 5/20 0.67
▸ MRGPRX2 Q96LB1 4/20 0.67
▸ ADRB1 P08588 1/20 0.67
▸ PDE4D Q08499 1/20 0.67
▸ PDE3A Q14432 1/20 0.67
▸ SLC22A1 O15245 1/20 0.60
▸ ADRA2A P08913 1/20 0.60
▸ ARRB1 P49407 1/20 0.60

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
SCHEMBL1278380 0.90 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL15249248 0.90 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL29359245 0.90 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL678993 0.90 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL24880 0.90 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Hydrochloric Acid SCHEMBL31058090 0.89 OPRD1 (0.73) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Propionic Acid SCHEMBL28993771 0.86 OPRD1 (0.67) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL16866229 0.85 OPRM1 (0.66) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL31298539 0.85 OPRM1 (0.76) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Ethylmorphine SCHEMBL15757784 0.84 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110831575-A Pharmaceutical preparation 卡里亚制药控股有限公司 2020-02-21 — — CN claimed
CN-1354740-A Pharmaceutical compounds NICOX SA (FR) 2002-06-19 — — CN claimed
CN-111601591-A Treatment and prevention of sleep disorders 普渡制药公司 2020-08-28 — — CN disclosed
Send feedback