SCHEMBL8368174

SCHEMBL8368174

CC(Cc1ccc(CCN2CCC(c3nc4ccccc4n3CCO)CC2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 15/20 0.55
CYP2D6 P10635 3/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
TACR2 P21452 1/20 0.44
TACR1 P25103 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR4 Q13639 1/20 0.44
HTT P42858 1/20 0.43
KCNH2 Q12809 2/20 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
SCHEMBL8366151 0.89 HRH1 (0.70) HRH1CYP2D6USP2POLBKCNH2
SCHEMBL4653613 0.84 HRH1 (0.63) HRH1CYP2D6USP2POLBTACR2
SCHEMBL28268965 0.80 HRH1 (0.60) HRH1CYP2D6USP2POLBKCNH2
SCHEMBL21359686 0.79 HRH1 (0.71) HRH1CYP2D6USP2POLBKCNH2
SCHEMBL18884476 0.78 HRH1 (0.70) HRH1CYP2D6KCNH2
SCHEMBL8367704 0.76 HRH1 (0.69) HRH1CYP2D6TACR2TACR1KCNH2
SCHEMBL28422607 0.75 HRH1 (0.71) HRH1CYP2D6KCNH2
SCHEMBL18884525 0.75 HRH1 (0.68) HRH1CYP2D6USP2POLBTACR2
Bilastine SCHEMBL29402994 0.73 HRH1 (0.82) HRH1CYP2D6USP2POLBKCNH2
Bilastine SCHEMBL991810 0.73 HRH1 (0.82) HRH1CYP2D6USP2POLBKCNH2

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-5877187-A Benzimidazole derivatives with antihistaminic activity FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS S.A. (FAES) (ES) 1999-03-02 US disclosed