SCHEMBL10897567

SCHEMBL10897567

O=C(O)c1ccc(C(C(=O)c2ccc(Cl)cc2)N2CCNCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 9/20 0.57
▸ CYP2D6 P10635 1/20 0.51
▸ CYP19A1 P11511 1/20 0.51
▸ OPRM1 P35372 2/20 0.50
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SRD5A2 P31213 1/20 0.42
▸ CHEK2 O96017 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MDM4 O15151 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ NTSR1 P30989 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 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
SCHEMBL10900898 0.85 OPRD1 (0.59) OPRD1CYP2D6CYP19A1OPRM1TSHR
SCHEMBL10898411 0.85 OPRD1 (0.78) OPRD1CYP2D6CYP19A1OPRM1ALOX15
SCHEMBL10901099 0.83 OPRD1 (0.50) OPRD1CYP2D6CYP19A1OPRM1ALOX15
SCHEMBL6200634 0.80 ADRB2 (0.56) LMNANTSR1ALDH1A1
SCHEMBL10772016 0.80 OPRD1 (0.57) OPRD1OPRM1TSHRLMNAL3MBTL1
Hydrochloric Acid SCHEMBL27478166 0.79 OPRD1 (0.56) OPRD1OPRM1TSHRLMNAL3MBTL1
SCHEMBL7278992 0.79 CYP2D6 (0.58) OPRD1CYP2D6CYP19A1OPRM1CHEK2
SCHEMBL25168550 0.77 OPRD1 (0.66) OPRD1CYP2D6OPRM1ALDH1A1
SCHEMBL25168549 0.77 OPRD1 (0.66) OPRD1CYP2D6OPRM1ALDH1A1
SCHEMBL7094264 0.76 OPRD1 (0.52) OPRD1CYP2D6CYP19A1OPRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 — — US disclosed
Send feedback