SCHEMBL5358607

SCHEMBL5358607

CCOC(=O)c1ccccc1OCCCl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
TBXAS1 P24557 1/20 0.57
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 1/20 0.53
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NR1I2 O75469 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL10459135 0.94 TSHR (0.61) TSHRTBXAS1ALDH1A1HSD17B10ADRB2
SCHEMBL9969538 0.87 TSHR (0.65) TSHRTBXAS1ALDH1A1HSD17B10ADRB2
SCHEMBL29280961 0.86 TSHR (0.62) TSHRTBXAS1ALDH1A1HSD17B10ADRB2
SCHEMBL5353531 0.86 TSHR (0.65) TSHRTBXAS1ALDH1A1HSD17B10ADRB2
Ammonia Solution, Strong SCHEMBL28026710 0.86 TSHR (0.62) TSHRTBXAS1ALDH1A1HSD17B10ADRB2
SCHEMBL536025 0.85 TSHR (0.71) TSHRTBXAS1ALDH1A1HSD17B10MAPT
SCHEMBL9969762 0.84 TSHR (0.61) TSHRTBXAS1ALDH1A1HSD17B10ADRB2
SCHEMBL28701055 0.84 TSHR (0.61) TSHRTBXAS1ALDH1A1HSD17B10ADRB2
SCHEMBL16093320 0.84 TSHR (0.61) TSHRTBXAS1ALDH1A1HSD17B10ADRB2
SCHEMBL28930348 0.84 TSHR (0.61) TSHRTBXAS1ALDH1A1HSD17B10ADRB2

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