SCHEMBL6753945

SCHEMBL6753945

CC1CCC(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.55
POLB P06746 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HTR2B P41595 4/20 0.51
PKM P14618 1/20 0.51
NPY5R Q15761 1/20 0.50
KMT2A Q03164 1/20 0.49
GID4 Q8IVV7 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
Ammonia Solution, Strong SCHEMBL5028354 0.98 TRPC3 (0.54) TRPC3POLBALDH1A1MAPTHPGD
SCHEMBL2276872 0.91 ALDH1A1 (0.59) POLBALDH1A1MAPTHPGDTSHR
Hydrochloric Acid SCHEMBL31596380 0.90 MAPT (0.57) POLBALDH1A1MAPTHPGDTSHR
SCHEMBL2640300 0.85 PARP1 (0.56) POLBALDH1A1MAPTHPGDTSHR
SCHEMBL12030470 0.85 TRPC3 (0.49) TRPC3ALDH1A1HTR2BPKMNPY5R
SCHEMBL2674802 0.84 HTR2B (0.55) POLBMAPTHTR2BNPY5RKMT2A
SCHEMBL6756134 0.84 NPC1 (0.59) POLBMAPTHTR2BNPY5RKMT2A
SCHEMBL10177547 0.84 IDO1 (0.54) POLBALDH1A1MAPTHPGDTSHR
SCHEMBL2640467 0.83 HTR2B (0.57) POLBALDH1A1MAPTHPGDTSHR
SCHEMBL724921 0.83 NPC1 (0.62) POLBMAPTHTR2BNPY5RNPC1

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
US-6712262-B2 BENZIMIDAZOLE AND IODINE COMPOUNDS TAMURAKAKEN CORPORATION (JP) 2004-03-30 US disclosed