SCHEMBL13624817

SCHEMBL13624817

Cn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.58
HTR2B P41595 1/20 0.52
HRH3 Q9Y5N1 1/20 0.46
KCNH2 Q12809 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
GRM2 Q14416 2/20 0.44
DRD3 P35462 1/20 0.44
TACR2 P21452 1/20 0.44
TACR1 P25103 1/20 0.44
PARP1 P09874 1/20 0.44
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL4653613 0.89 HRH1 (0.63) HRH1HRH3KCNH2TACR2TACR1
SCHEMBL15569007 0.89 HRH1 (0.55) HRH1HTR2BHRH3KCNH2DRD3
SCHEMBL18884525 0.87 HRH1 (0.68) HRH1KCNH2TACR2TACR1USP2
Bilastine SCHEMBL991810 0.85 HRH1 (0.82) HRH1KCNH2USP2POLB
Bilastine SCHEMBL29402994 0.85 HRH1 (0.82) HRH1KCNH2USP2POLB
Bilastine SCHEMBL21815518 0.83 HRH1 (0.77) HRH1KCNH2
SCHEMBL993093 0.80 HTR2B (0.55) HRH1HTR2BKCNH2TACR2PARP1
SCHEMBL3793927 0.77 HRH1 (0.79) HRH1KCNH2TACR2TACR1
SCHEMBL991771 0.77 HRH1 (0.79) HRH1KCNH2
SCHEMBL30307024 0.77 HRH1 (0.79) HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612095-B2 Polymorphic forms 2 and 3 of bilastin is transformed into polymorph 1, which is very stable and is not transformed into any of the other polymorphs 2 and 3; allergic reactions, pathological processes mediated by histamine FAES FARMA, S.A. (ES) 2009-11-03 US disclosed