SCHEMBL10340230

SCHEMBL10340230

O=C(N[C@@H]1CCC[C@@H]1N1CCCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.62
TAS1R3 Q7RTX0 4/20 0.62
TAS1R2 Q8TE23 2/20 0.62
F10 P00742 1/20 0.57
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
CHRNA7 P36544 2/20 0.50
TAS1R1 Q7RTX1 3/20 0.49
SSTR3 P32745 3/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL10340229 1.00 SIGMAR1 (0.62) SIGMAR1TAS1R3TAS1R2F10CYP1A2
SCHEMBL9698870 0.97 SIGMAR1 (0.66) SIGMAR1TAS1R3TAS1R2F10CYP1A2
SCHEMBL9698861 0.97 SIGMAR1 (0.66) SIGMAR1TAS1R3TAS1R2F10CYP1A2
Hydrochloric Acid SCHEMBL10340109 0.96 SIGMAR1 (0.65) SIGMAR1TAS1R3TAS1R2F10CYP1A2
Hydrochloric Acid SCHEMBL10340108 0.96 SIGMAR1 (0.65) SIGMAR1TAS1R3TAS1R2F10CYP1A2
SCHEMBL6311237 0.83 SIGMAR1 (0.53) SIGMAR1TAS1R3TAS1R2F10CHRNA7
SCHEMBL6311232 0.83 SIGMAR1 (0.53) SIGMAR1TAS1R3TAS1R2F10CHRNA7
SCHEMBL10748237 0.81 SIGMAR1 (0.47) SIGMAR1TAS1R3TAS1R2F10CHRNA7
SCHEMBL10340111 0.80 SIGMAR1 (0.95) SIGMAR1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL10340110 0.80 SIGMAR1 (0.95) SIGMAR1CYP1A2CYP3A4CYP2D6TSHR

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
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