SCHEMBL10898411

SCHEMBL10898411

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

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 12/20 0.78
▸ CYP2D6 P10635 1/20 0.73
▸ CYP19A1 P11511 1/20 0.73
▸ OPRM1 P35372 5/20 0.67
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CHEK2 O96017 1/20 0.54
▸ SLC6A9 P48067 1/20 0.54
▸ GPX4 P36969 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ OPRK1 P41145 1/20 0.50

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 SCHEMBL6796629 0.87 OPRD1 (0.97) OPRD1CYP2D6CYP19A1OPRM1MEN1
SCHEMBL1137956 0.86 CYP2D6 (1.00) OPRD1CYP2D6CYP19A1OPRM1MEN1
SCHEMBL10897567 0.85 OPRD1 (0.57) OPRD1CYP2D6CYP19A1OPRM1CHEK2
SCHEMBL10901072 0.83 OPRD1 (0.79) OPRD1CYP2D6CYP19A1OPRM1CHEK2
Norchlorcyclizine SCHEMBL2426579 0.83 CYP2D6 (0.69) OPRD1CYP2D6CYP19A1OPRM1MEN1
Norchlorcyclizine SCHEMBL467086 0.83 CYP2D6 (0.86) OPRD1CYP2D6CYP19A1OPRM1MEN1
Norchlorcyclizine SCHEMBL6556514 0.83 CYP2D6 (0.86) OPRD1CYP2D6CYP19A1OPRM1MEN1
Norchlorcyclizine SCHEMBL588655 0.83 CYP2D6 (0.86) OPRD1CYP2D6CYP19A1OPRM1MEN1
SCHEMBL10677115 0.82 CHRM2 (0.70) OPRD1CYP2D6OPRM1MEN1KMT2A
Norchlorcyclizine SCHEMBL3602733 0.82 CYP2D6 (0.68) OPRD1CYP2D6CYP19A1OPRM1MEN1

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
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