SCHEMBL8111998

SCHEMBL8111998

CN1C2CCCC1CC(NCc1cc3ccc(Cl)cc3[nH]1)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
DRD4 P21917 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
METTL3 Q86U44 3/20 0.37
METTL14 Q9HCE5 3/20 0.37
DRD3 P35462 2/20 0.37
DRD5 P21918 1/20 0.37
VCP P55072 1/20 0.37
OPRL1 P41146 3/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC2A1 P11166 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8110562 0.87 RAB9A (0.40) SIGMAR1METTL3METTL14VCPMAPT
SCHEMBL8102814 0.85 VCP (0.50) SIGMAR1VCP
SCHEMBL7400198 0.82 CHRM1 (0.34) CHRM1SLC6A2SLC6A4SIGMAR1VCP
SCHEMBL7448002 0.80 HRH3 (0.48) DRD4DRD3VCP
SCHEMBL8102563 0.79 MTNR1A (0.41) CHRM1SLC6A2SLC6A4SIGMAR1VCP
SCHEMBL8112708 0.75 MTNR1A (0.40) SIGMAR1VCPALOX15
SCHEMBL8111909 0.74 ALDH1A1 (0.35) SIGMAR1VCPMAPT
SCHEMBL7453786 0.70 GAA (0.56) DRD4SIGMAR1DRD3DRD5ALOX15
SCHEMBL7296680 0.68 HRH3 (0.52) DRD4DRD3VCP
SCHEMBL7303201 0.67 CXCR6 (0.55) VCP

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
EP-0711299-B1 AZABICYCLOALKYL DERIVATIVES OF IMIDAZO(1,5-a)INDOL-3-ONE AS 5HT 3 ANTAGONISTS PHARMACIA & UPJOHN SPA (IT) 2000-01-05 EP disclosed
US-5637596-A REACTING AMINOMETHYLINDOLE DERIVATIVE WITH A CARBONYL CONTAINING CYCLIZING AGENT; 5-HT3 RECEPTOR ATAGONIST; USEFUL FOR TREATING ANXIETY, PSYCHOSIS, GUT MOTILITY DISORDER, EMESIS, MIGRAINE AND DRUG ADDICTION PHARMACIA S.P.A. (IT) 1997-06-10 US disclosed