SCHEMBL10340106

SCHEMBL10340106

CN(C(=O)c1ccc(Cl)c(Cl)c1)C1CCCC1N1CCCC1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 9/20 0.95
▸ CYP3A4 P08684 4/20 0.95
▸ CYP2D6 P10635 4/20 0.95
▸ TSHR P16473 3/20 0.95
▸ CYP1A2 P05177 2/20 0.95
▸ CYP2C19 P33261 2/20 0.95
▸ OPRK1 P41145 5/20 0.63
▸ OPRM1 P35372 2/20 0.63
▸ TP53 P04637 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ MTOR P42345 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ OPRD1 P41143 1/20 0.63
▸ MAPK8 P45983 1/20 0.63
▸ MAPK9 P45984 1/20 0.63
▸ MAPK10 P53779 1/20 0.63
▸ PMP22 Q01453 3/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL10340107 1.00 SIGMAR1 (0.95) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL29766818 0.97 SIGMAR1 (1.00) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL7218504 0.97 SIGMAR1 (1.00) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL7218502 0.97 SIGMAR1 (1.00) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL11610023 0.97 SIGMAR1 (1.00) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
Hydrochloric Acid SCHEMBL10340142 0.96 SIGMAR1 (0.98) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
Hydrochloric Acid SCHEMBL10340144 0.96 SIGMAR1 (0.98) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
Hydrochloric Acid SCHEMBL14809487 0.95 SIGMAR1 (0.95) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL11248186 0.90 SIGMAR1 (0.81) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL10833026 0.89 SIGMAR1 (0.76) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248824-B1 USE OF CIS-N-(2 AMINOCYCLOALIPHATIC) BENZENE ACETAMIDE AND BENZAMIDE FOR THE MANUFACTURE OF ANTICONVULSANTS THE UPJOHN COMPANY (US) 1990-01-17 — — EP claimed
EP-0248824-A1 Use of CIS-N-(2 Aminocycloaliphatic) benzene acetamide and Benzamide for the manufacture of anticonvulsants. UPJOHN CO (US) 1987-12-16 — — EP claimed
EP-0222533-A1 Cis-N-[(2-aminocycloaliphatic)benzene acetamide and -benzamide anticonvulsants THE UPJOHN COMPANY (US) 1987-05-20 — — EP claimed
WO-1987002584-A1 CIS-N-(2-AMINOCYCLOALIPHATIC)BENZENE ACETAMIDE AND -BENZAMIDE ANTICONVULSANTS THE UPJOHN COMPANY (US) 1987-05-07 — — WO claimed
EP-0248824-B1 USE OF CIS-N-(2 AMINOCYCLOALIPHATIC) BENZENE ACETAMIDE AND BENZAMIDE FOR THE MANUFACTURE OF ANTICONVULSANTS THE UPJOHN COMPANY (US) 1990-01-17 — — EP disclosed
EP-0248824-A1 Use of CIS-N-(2 Aminocycloaliphatic) benzene acetamide and Benzamide for the manufacture of anticonvulsants. UPJOHN CO (US) 1987-12-16 — — EP disclosed
WO-1987002584-A1 CIS-N-(2-AMINOCYCLOALIPHATIC)BENZENE ACETAMIDE AND -BENZAMIDE ANTICONVULSANTS THE UPJOHN COMPANY (US) 1987-05-07 — — WO disclosed
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