SCHEMBL3248069

SCHEMBL3248069

Clc1ccc(-c2ccc3c(n2)CC[N]C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
RAB9A P51151 7/20 0.36
NPC1 O15118 6/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
APAF1 O14727 1/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMO O15229 1/20 0.33
IKBKB O14920 1/20 0.32
MAOB P27338 2/20 0.32
KDM1A O60341 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
SCHEMBL3246414 0.83 MEN1 (0.41) MAPTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL3249462 0.82 NPC1 (0.39) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL11641022 0.78 NPC1 (0.48) MAPTRAB9ANPC1LMNAHTT
SCHEMBL3126540 0.74 S1PR1 (0.36) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL585704 0.66 HTR2A (0.48) HTTKDM1A
SCHEMBL2301407 0.66 HTR2A (0.48) HTTKDM1A
SCHEMBL29710260 0.65 CTSL (0.44) MAPTRAB9ANPC1LMNAHTT
SCHEMBL25230224 0.64 ACHE (0.40) MAPTRAB9ANPC1LMNAHTT
SCHEMBL5039286 0.64 GRM5 (0.50) MAPTRAB9ANPC1LMNAHTT
SCHEMBL30437712 0.64 ACHE (0.40) MAPTRAB9ANPC1LMNAHTT

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