SCHEMBL8116751

SCHEMBL8116751

Clc1cc(Cl)c2cc(CNC3CN4CCC3CC4)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR3A P46098 9/20 0.37
CHRNA7 P36544 3/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 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
SCHEMBL7448878 0.85 GAA (0.56) GAASMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL7453786 0.81 GAA (0.56) GAASMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL8112152 0.79 GAA (0.41) GAASMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL7444939 0.75 GAA (0.44) GAASMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL7444647 0.74 GAA (0.51) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL7436974 0.71 GAA (0.44) GAASMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL7400198 0.70 CHRM1 (0.34) GAASIGMAR1MEN1KMT2AHTR3A
SCHEMBL4958523 0.67 GAA (0.68) GAASMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL4958510 0.64 HTR3A (0.50) GAASMN1; SMN2SIGMAR1HTR3ACHRNA7
SCHEMBL14411936 0.64 GRIN1 (0.47) GAA

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