SCHEMBL14734858

SCHEMBL14734858

[CH]1CCC(c2nc3ccc(OCC4CC4)cc3o2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.48
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
ACACA Q13085 4/20 0.38
ACACB O00763 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 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
SCHEMBL2546035 0.86 F2RL3 (0.47) F2RL3RAB9ANPC1SMN1; SMN2TP53
SCHEMBL2546038 0.86 F2RL3 (0.47) F2RL3RAB9ANPC1SMN1; SMN2TP53
SCHEMBL2549910 0.78 ACACB (0.45) F2RL3SMN1; SMN2ACACAACACBLMNA
SCHEMBL2549907 0.78 ACACB (0.45) F2RL3SMN1; SMN2ACACAACACBLMNA
SCHEMBL2548902 0.78 F2RL3 (0.45) F2RL3RAB9ANPC1SMN1; SMN2TP53
SCHEMBL2548901 0.78 F2RL3 (0.45) F2RL3RAB9ANPC1SMN1; SMN2TP53
SCHEMBL2551532 0.78 ACACB (0.43) F2RL3RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2551529 0.78 ACACB (0.43) F2RL3RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL14734835 0.77 SLC6A2 (0.41) F2RL3SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL2549644 0.75 F2RL3 (0.41) F2RL3RAB9ASMN1; SMN2TP53ACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563765-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed