SCHEMBL11786609

SCHEMBL11786609

Cn1cc(N2CCCCC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
GPR84 Q9NQS5 1/20 0.46
HPGD P15428 1/20 0.44
NCF1 P14598 1/20 0.44
IMPDH2 P12268 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
KEAP1 Q14145 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR2A P28223 1/20 0.41

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
Hydrochloric Acid SCHEMBL11844003 0.98 HTR6 (0.52) HTR6L3MBTL1GPR84HPGDNCF1
SCHEMBL3584996 0.86 HTR6 (0.58) HTR6GPR84NCF1IMPDH2ALDH1A1
SCHEMBL23536600 0.76 HTR6 (0.51) HTR6L3MBTL1HPGDALDH1A1SMN1; SMN2
SCHEMBL9237227 0.76 CDC25A (0.49)
SCHEMBL1413286 0.74 HTR6 (0.47) HTR6L3MBTL1HPGDNCF1ALDH1A1
SCHEMBL27249997 0.74 BRD4 (0.44) L3MBTL1GPR84IMPDH2ALDH1A1
SCHEMBL27249985 0.73 POLB (0.41) L3MBTL1GPR84IMPDH2ALDH1A1GAA
SCHEMBL27249582 0.72 BRD4 (0.48) GPR84HPGDIMPDH2ALDH1A1
SCHEMBL28872984 0.72 GPR84 (0.50) GPR84IMPDH2ALDH1A1LMNAHTR2A
SCHEMBL18508878 0.71 GAA (0.44) HTR6L3MBTL1ALDH1A1GAALMNA

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
US-3993764-A 3-(4*-PIPERIDYL)-INDOLES ROUSSEL-UCLAF (FR) 1976-11-23 US claimed
US-3993764-A 3-(4*-PIPERIDYL)-INDOLES ROUSSEL-UCLAF (FR) 1976-11-23 US disclosed
US-3947578-A Omega-[4-(3\"-indolyl)-piperidino]-alkyl-arylketones as nevroleptics ROUSSEL UCLAF (FR) 1976-03-30 US disclosed