SCHEMBL3126540

SCHEMBL3126540

COCCOc1ccc(-c2ccc3c(n2)CC[N]C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR6 P50406 1/20 0.33
APP P05067 1/20 0.33
CYP2D6 P10635 4/20 0.33
CYP19A1 P11511 4/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 1/20 0.32
BRAF P15056 1/20 0.32

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
SCHEMBL2302727 0.74 PPARG (0.40) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL3248069 0.74 MAPT (0.36) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3249462 0.72 NPC1 (0.39) MAPTKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL13554406 0.67 CYP3A4 (0.50) MAPTCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL11645634 0.65 NPC1 (0.51) MAPTMEN1KMT2AALDH1A1CYP2D6
SCHEMBL8339774 0.65 MAPT (0.52) MAPTL3MBTL1KDM4ERAB9A
SCHEMBL3247157 0.65 CYP2A6 (0.43) MAPTALDH1A1CYP19A1CYP2C9CYP2C19
SCHEMBL21851484 0.65 CACNA1H (0.43) MAPTMEN1KMT2AALDH1A1CYP2D6
SCHEMBL25299790 0.64 APP (0.39) MAPTMEN1KMT2AALDH1A1APP
SCHEMBL5329073 0.63 RAB9A (0.67) MAPTMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed