SCHEMBL29171164

SCHEMBL29171164

O=C(c1ccc(Cl)cc1)C(Cl)N1CCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 5/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ CHEK2 O96017 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ NTSR1 P30989 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PHGDH O43175 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL7094264 0.77 OPRD1 (0.52) OPRD1OPRM1CYP2D6CYP19A1HTR3E
SCHEMBL10897567 0.71 OPRD1 (0.57) OPRD1OPRM1CYP2D6CYP19A1CHEK2
SCHEMBL10898411 0.69 OPRD1 (0.78) OPRD1OPRM1CYP2D6CYP19A1CHEK2
SCHEMBL10900898 0.68 OPRD1 (0.59) OPRD1OPRM1CYP2D6CYP19A1MAPT
SCHEMBL9386877 0.68 OPRD1 (0.49) OPRD1OPRM1CYP2D6CYP19A1MAPT
SCHEMBL1256167 0.67 SIGMAR1 (0.68) SIGMAR1MAPTMGLLPOLBPHGDH
SCHEMBL6851984 0.66 PDPK1 (0.59) MAPTALDH1A1
Hydrochloric Acid SCHEMBL10901857 0.66 SIGMAR1 (0.66) SIGMAR1MAPTMGLLPOLBPHGDH
SCHEMBL5954545 0.65 SLC6A3 (0.66) CHRNA7NTSR1ALDH1A1
SCHEMBL7278992 0.65 CYP2D6 (0.58) OPRD1OPRM1CYP2D6CYP19A1HTR3E

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
CN-117486802-B Method for preparing imidazole ethanol 启农生物科技(北京)有限公司 2024-04-19 — — CN disclosed
CN-117486802-A Method for preparing imidazole ethanol 启农生物科技(北京)有限公司 2024-02-02 — — CN disclosed
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