SCHEMBL7706920

SCHEMBL7706920

Cc1cccc(C(=O)CCCN2CCC(c3cn(CC4CC4)c4ccccc34)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 10/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
MCHR1 Q99705 2/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
HTR6 P50406 1/20 0.44

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
SCHEMBL6786478 0.82 CYP2J2 (0.49) HRH2HTR2AHTR2CHTR2BDRD2
SCHEMBL6780187 0.78 HRH2 (0.73) HRH2HTR2AHTR2CHTR2BDRD2
SCHEMBL7159651 0.78 CCR2 (0.61) HTR2ADRD2
SCHEMBL6780994 0.75 HRH2 (0.73) HRH2HTR2AHTR2CHTR2B
SCHEMBL6785252 0.73 HRH2 (0.60) HRH2HTR2AHTR2CHTR2BDRD2
SCHEMBL11784884 0.72 DRD2 (0.65) HTR2AHTR2CHTR2BDRD2DRD4
Hydrochloric Acid SCHEMBL11785189 0.72 DRD2 (0.64) HTR2AHTR2CHTR2BDRD2DRD4
SCHEMBL6784820 0.72 KDM4E (0.48) HRH2HTR2AHTR2CHTR2B
SCHEMBL6780178 0.71 HRH2 (0.58) HRH2HTR2AHTR2CHTR2BDRD2
SCHEMBL6782119 0.71 HRH2 (0.64) HRH2HTR2AHTR2CHTR2B

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-1183251-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2002-03-06 EP disclosed
WO-2000075130-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA, S.A. (ES) 2000-12-14 WO disclosed