SCHEMBL21359686

SCHEMBL21359686

CC(C)C(=O)O.CCOCCn1c(C2CCN(CCc3ccccc3)CC2)nc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 12/20 0.71
KCNH2 Q12809 3/20 0.59
CYP2D6 P10635 1/20 0.51
USP2 O75604 1/20 0.47
POLB P06746 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
SCHEMBL8366151 0.91 HRH1 (0.70) HRH1KCNH2CYP2D6USP2POLB
SCHEMBL18884476 0.91 HRH1 (0.70) HRH1KCNH2CYP2D6
SCHEMBL28422607 0.90 HRH1 (0.71) HRH1KCNH2CYP2D6
SCHEMBL8367704 0.89 HRH1 (0.69) HRH1KCNH2CYP2D6
Bilastine SCHEMBL991810 0.87 HRH1 (0.82) HRH1KCNH2CYP2D6USP2POLB
Bilastine SCHEMBL29402994 0.87 HRH1 (0.82) HRH1KCNH2CYP2D6USP2POLB
SCHEMBL28422609 0.86 HRH1 (0.75) HRH1KCNH2CYP2D6USP2POLB
SCHEMBL19770379 0.84 HRH1 (0.95) HRH1KCNH2
Bilastine SCHEMBL21815518 0.84 HRH1 (0.77) HRH1KCNH2CYP2D6
SCHEMBL17888852 0.84 HRH1 (0.82) HRH1KCNH2CYP2D6USP2POLB

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
WO-2019175722-A1 PROCESS FOR THE PREPARATION OF STABLE AND HIGHLY PURE CRYSTALLINE FORM 2 OF BILASTINE SYMED LABS LIMITED (IN) 2019-09-19 WO disclosed