SCHEMBL9837608

SCHEMBL9837608

CC(F)(C(=O)OC1CCCCC1)c1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
CHRM3 P20309 10/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
GPR35 Q9HC97 1/20 0.37
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
CHRM2 P08172 3/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD11B1 P28845 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 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
SCHEMBL9837262 0.99 CYP19A1 (0.49) CYP19A1CHRM3SMN1; SMN2NPC1HTT
SCHEMBL9838936 0.93 CYP19A1 (0.41) CYP19A1CHRM3NPC1RAB9A
SCHEMBL9837621 0.84 CYP19A1 (0.52) CYP19A1CHRM3SMN1; SMN2NPC1HTT
SCHEMBL9839584 0.83 CYP19A1 (0.51) CYP19A1CHRM3SMN1; SMN2NPC1HTT
SCHEMBL9837903 0.82 CYP19A1 (0.45) CYP19A1CHRM3RAB9AGPR35CHRM2
SCHEMBL685797 0.76 CYP19A1 (0.50) CYP19A1CHRM3SMN1; SMN2NPC1HTT
SCHEMBL686208 0.76 CYP19A1 (0.50) CYP19A1CHRM3SMN1; SMN2NPC1HTT
SCHEMBL686006 0.76 CYP19A1 (0.50) CYP19A1CHRM3SMN1; SMN2NPC1HTT
SCHEMBL9837560 0.74 NFE2L2 (0.40) SMN1; SMN2NPC1RAB9AHSD11B1
SCHEMBL9837558 0.74 RAB9A (0.51) SMN1; SMN2NPC1HTTRAB9ALMNA

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