SCHEMBL7426131

SCHEMBL7426131

c1cc2c3c(c1)nc(N1CCC(c4c[nH]cn4)CC1)n3CCC2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
MCL1 Q07820 1/20 0.31

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
SCHEMBL9012956 0.83 PARP1 (0.34)
SCHEMBL7392446 0.81 HTR2C (0.36)
SCHEMBL8543289 0.76 NPC1 (0.45) NPC1MAPTRAB9A
SCHEMBL8548519 0.76 MAPT (0.47) NPC1MAPTRAB9AMCL1
SCHEMBL2962557 0.75 HTR2C (0.44) NPC1MAPTRAB9A
SCHEMBL7391668 0.75 TSHR (0.37) MAPT
SCHEMBL8543387 0.75 HRH1 (0.45) NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL8550810 0.75 MAPT (0.46) NPC1MAPTRAB9AMCL1
Hydrochloric Acid SCHEMBL8544100 0.74 CDK8 (0.45) NPC1MAPTRAB9A
SCHEMBL8548303 0.74 RAB9A (0.45) NPC1MAPTRAB9AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7179466-A None JP disclosed
US-5589476-A TREATMENT OF NAUSEA, VOMITING AND GASTROINTESTINAL DISORDERS SYNTHELABO (FR) 1996-12-31 US disclosed
JP-H07179466-A IMIDAZOL-4-YLPIPERIDINE DERIVATIVE, ITS PREPARATION, AND APPLICATION THEREOF IN MEDICINE SYNTHELABO SA 1995-07-18 JP disclosed
EP-0646583-A1 Derivatives of Imidezol-4-yl piperidine, their preparation and use in therapy SYNTHELABO (FR) 1995-04-05 EP disclosed