SCHEMBL7159651

SCHEMBL7159651

Cc1cccc(C(=O)CCCN2CCC(c3c[nH]c4ccccc34)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.61
ADRA1D P25100 4/20 0.58
SLC6A4 P31645 1/20 0.56
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
HTR7 P34969 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL11786426 0.89 ADRA1D (0.66) CCR2ADRA1DSLC6A4DRD2
Hydrochloric Acid SCHEMBL11784755 0.88 ADRA1D (0.67) CCR2ADRA1DSLC6A4DRD2
SCHEMBL11784971 0.83 DRD2 (0.70) ADRA1DDRD2
SCHEMBL11788127 0.83 CCR2 (0.72) CCR2ADRA1DSLC6A4DRD2
Hydrochloric Acid SCHEMBL11784284 0.82 CCR2 (0.70) CCR2ADRA1DSLC6A4DRD2
Hydrochloric Acid SCHEMBL11789367 0.82 DRD2 (0.69) ADRA1DDRD2
SCHEMBL3380970 0.81 SLC6A4 (0.71) CCR2ADRA1DSLC6A4DRD2HTR2A
SCHEMBL6779379 0.80 CCR2 (0.58) CCR2ADRA1DSLC6A4DRD2HTR2A
SCHEMBL7481574 0.80 HTR1D (0.52) CCR2ADRA1DDRD2
SCHEMBL7706920 0.78 HRH2 (0.49) DRD2HTR2A

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
JP-2003501424-A 2003-01-14 JP claimed
EP-1183251-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2002-03-06 EP claimed
WO-2000075130-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA, S.A. (ES) 2000-12-14 WO claimed