SCHEMBL5344809

SCHEMBL5344809

c1ccc2c(c1)c(C1CCNCC1)cn2Cc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.49
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47
HTR6 P50406 2/20 0.47
KLK7 P49862 1/20 0.45
SLC5A1 P13866 4/20 0.44
SLC5A2 P31639 4/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
DRD2 P14416 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14280694 0.90 SMO (0.55) SMOCNR2HTR6KLK7SLC5A1
SCHEMBL5345509 0.87 CNR1 (0.50) SMOCNR2CNR1HTR6KLK7
Hydrochloric Acid SCHEMBL6133473 0.84 HTR6 (0.46) SMOCNR2HTR6KLK7SLC5A1
Hydrochloric Acid SCHEMBL6133263 0.83 HTR6 (0.49) SMOCNR2HTR6KLK7SLC5A1
SCHEMBL22491533 0.82 HTR6 (0.54) SMOHTR6KLK7SLC5A1SLC5A2
SCHEMBL5351999 0.81 HTR6 (0.46) SMOCNR2CNR1HTR6KLK7
SCHEMBL5343906 0.81 HTR2A (0.58) SMOHTR6KLK7SLC5A1SLC5A2
Hydrochloric Acid SCHEMBL6133627 0.79 HTR6 (0.53) SMOCNR2HTR6KLK7SLC5A1
SCHEMBL5342585 0.79 HRH2 (0.56) SMOCNR2CNR1HTR6SLC5A1
SCHEMBL8316249 0.79 HTR6 (0.53) HTR6MEN1MAPTKMT2AALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189741-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2007-03-13 US disclosed
EP-1330453-B1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-03-29 EP disclosed
US-20040116471-A1 Indolylpiperidine derivatives as antihistaminic aand antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2004-06-17 US disclosed
EP-1330453-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2003-07-30 EP disclosed
WO-2002036589-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2002-05-10 WO disclosed