SCHEMBL3637034

SCHEMBL3637034

Clc1ccccc1C(c1ccccc1)N1CCNCC1I

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.42
OPRL1 P41146 6/20 0.42
OPRD1 P41143 4/20 0.42
OPRK1 P41145 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA2D1 P54289 4/20 0.40
CACNA1B Q00975 4/20 0.40
CACNB1 Q02641 4/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1C Q13936 2/20 0.39
SLC6A2 P23975 8/20 0.39
SLC6A4 P31645 8/20 0.39
SLC6A3 Q01959 7/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5623535 0.86 MEN1 (0.51) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL3643682 0.84 OPRD1 (0.49) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL2430851 0.76 MEN1 (0.69) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL2430848 0.76 MEN1 (0.69) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL9530935 0.71 MEN1 (0.51) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL4243353 0.70 OPRM1 (0.68) OPRM1OPRL1OPRD1OPRK1CACNA2D1
Acetic Acid SCHEMBL11195893 0.69 OPRD1 (0.61) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL4153276 0.69 MEN1 (0.53) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL4153281 0.69 MEN1 (0.53) OPRM1OPRL1OPRD1OPRK1MEN1
Hydrochloric Acid SCHEMBL30961624 0.69 OPRD1 (0.45) OPRM1OPRL1OPRD1OPRK1MEN1

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-2175856-A2 NOVEL PROCESS FOR PREPARING HIGHLY PURE LEVOCETIRIZINE AND SALTS THEREOF Chemagis Ltd. (IL) 2010-04-21 EP disclosed
WO-2009022327-A2 NOVEL PROCESS FOR PREPARING HIGHLY PURE LEVOCETIRIZINE AND SALTS THEREOF CHEMAGIS LTD. (IL) 2009-02-19 WO disclosed