SCHEMBL9837262

SCHEMBL9837262

CC(F)(C(=O)OC1CCCC1)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
CHRM3 P20309 14/20 0.40
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 6/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
GPR35 Q9HC97 1/20 0.36
SLC22A1 O15245 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
SCHEMBL9837608 0.99 CYP19A1 (0.51) CYP19A1CHRM3NPC1HTTRAB9A
SCHEMBL9838936 0.94 CYP19A1 (0.41) CYP19A1CHRM3NPC1RAB9A
SCHEMBL9837621 0.82 CYP19A1 (0.52) CYP19A1CHRM3NPC1HTTRAB9A
SCHEMBL9839584 0.81 CYP19A1 (0.51) CYP19A1CHRM3NPC1HTTRAB9A
SCHEMBL9837903 0.81 CYP19A1 (0.45) CYP19A1CHRM3RAB9ACHRM2LMNA
SCHEMBL685904 0.75 CYP19A1 (0.47) CYP19A1CHRM3NPC1HTTRAB9A
SCHEMBL9838727 0.73 NFE2L2 (0.38) NPC1RAB9A
SCHEMBL9838913 0.73 RAB9A (0.49) NPC1HTTRAB9ASMN1; SMN2LMNA
SCHEMBL686006 0.73 CYP19A1 (0.50) CYP19A1CHRM3NPC1HTTRAB9A
SCHEMBL686208 0.73 CYP19A1 (0.50) CYP19A1CHRM3NPC1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276122-B1 CYCLOALKYL-SUBSTITUTED 4-AMINOPHENYL HALO DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-08-07 EP claimed
EP-0276122-A2 Cycloalkyl-substituted 4-aminophenyl halo derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-27 EP claimed
EP-0276122-B1 CYCLOALKYL-SUBSTITUTED 4-AMINOPHENYL HALO DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-08-07 EP disclosed
US-4847295-A ANTITUMOR AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-07-11 US disclosed
EP-0276122-A2 Cycloalkyl-substituted 4-aminophenyl halo derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-27 EP disclosed