SCHEMBL9258610

SCHEMBL9258610

COC(=O)COC(C)n1c(C(=O)C2CCNCC2)nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
HTR4 Q13639 4/20 0.38
REN P00797 1/20 0.37
NPC1 O15118 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HRH1 P35367 2/20 0.36
TACR2 P21452 1/20 0.36
TACR1 P25103 1/20 0.36
MCHR1 Q99705 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
MAPT P10636 1/20 0.35
PDE6D O43924 1/20 0.35
RPS6KA2 Q15349 1/20 0.35

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
SCHEMBL9258711 0.88 REN (0.40) KDM4EPOLBHTR4RENHSD17B10
SCHEMBL9268748 0.85 HRH1 (0.41) KDM4EPOLBNPC1HSD17B10HRH1
SCHEMBL9259439 0.83 STS (0.44) KDM4ENPC1ALDH1A1MAPT
SCHEMBL9258963 0.81 HRH1 (0.42) HTR4HSD17B10HRH1TACR2TACR1
SCHEMBL9261710 0.78 HRH1 (0.40) KDM4EHTR4HRH1TACR2TACR1
SCHEMBL9258407 0.76 REN (0.33) REN
SCHEMBL9268866 0.76 HRH1 (0.43) KDM4ENPC1HSD17B10HRH1TACR2
SCHEMBL9260568 0.73 HRH1 (0.48) KDM4EHRH1TACR2TACR1
SCHEMBL9260561 0.72 HRH1 (0.39) KDM4EPOLBNPC1HSD17B10HRH1
SCHEMBL9258370 0.72 HRH1 (0.62) HRH1TACR2TACR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380731-A Antiallergic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1995-01-10 US disclosed
EP-0561973-A1 ANTIALLERGIC COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-09-29 EP disclosed
WO-1992010491-A1 ANTIALLERGIC COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-06-25 WO disclosed