SCHEMBL7472875

SCHEMBL7472875

CC(=N)N1CCC(Oc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TRPC3 Q13507 1/20 0.42
GRIN2B Q13224 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
JAK1 P23458 1/20 0.40
HTR2B P41595 2/20 0.40

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
SCHEMBL23123293 0.80 ALDH1A1 (0.48) TRPC3SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL30986408 0.73 LTA4H (0.45) SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL21047719 0.72 KDM4C (0.42) SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL5640283 0.69 CHEK2 (0.71) SMN1; SMN2NPC1ALDH1A1RAB9AJAK1
SCHEMBL6555088 0.66 EPHX2 (0.41) SMN1; SMN2
SCHEMBL6670248 0.65 LMNA (0.53) SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL1748039 0.65 NPC1 (0.54) SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL29745123 0.65 NPC1 (0.54) SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL3319822 0.65 F10 (0.43) HRH3
Hydrochloric Acid SCHEMBL14632558 0.65 F10 (0.47) HRH3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865281-A4 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 1999-07-28 EP disclosed
EP-0865281-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1998-09-23 EP disclosed
WO-1997021437-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-06-19 WO disclosed