SCHEMBL9872869

SCHEMBL9872869

Nc1cccc(CCc2nnn[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
CYP19A1 P11511 1/20 0.51
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
PARP1 P09874 2/20 0.43
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AB1 P08238 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP3A4 P08684 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
HTR1A P08908 1/20 0.34
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL3044331 0.85 MAOB (0.42) MAOAMAOBCYP19A1MAPTRAB9A
Hydrochloric Acid SCHEMBL9573531 0.84 MAOB (0.43) MAOAMAOBCYP19A1MAPTRAB9A
SCHEMBL25184079 0.81 TAAR1 (0.47) MAOBPARP1CYP11B1CYP11B2
SCHEMBL13092524 0.80 GFER (0.52) MAOAMAOBCYP19A1MAPTRAB9A
SCHEMBL4715479 0.79 DAO (0.47) MAOAMAOBMAPTRAB9ASMN1; SMN2
SCHEMBL2154372 0.76 MAOB (0.86) MAOAMAOBCYP19A1MAPTRAB9A
SCHEMBL29436994 0.76 MAOB (0.86) MAOAMAOBCYP19A1MAPTRAB9A
SCHEMBL21212287 0.74 MAOA (0.53) MAOAMAOBCYP19A1MAPTRAB9A
SCHEMBL3482674 0.72 CYP19A1 (0.91) MAOAMAOBCYP19A1MAPTRAB9A
SCHEMBL13092535 0.72 ADRA2B (0.39)

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
WO-1991017150-A1 TETRAZOLE UREA AND THIOUREA ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1991-11-14 WO disclosed