SCHEMBL5340262

SCHEMBL5340262

CCOC(=O)c1cc(CN2CCC(c3c[nH]c4ccccc34)CC2)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
HRH2 P25021 1/20 0.53
OPRM1 P35372 2/20 0.52
OPRK1 P41145 2/20 0.52
OPRL1 P41146 2/20 0.52
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 4/20 0.49
HTR7 P34969 4/20 0.49
DRD2 P14416 2/20 0.49

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
SCHEMBL5343841 0.89 PDE4B (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4052419 0.81 DRD2 (0.54) HRH2HTR1DHTR1BHTR2AHTR7
SCHEMBL5341488 0.80 HDAC1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5341921 0.79 HTR2A (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7092859 0.79 HRH2 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5344471 0.77 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4055416 0.75 ALDH1A1 (0.71) HTR2AHTR7DRD2KCNH2ALDH1A1
SCHEMBL6785509 0.74 HDAC1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6783190 0.74 CHRM4 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10720205 0.74 CTSS (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2

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