SCHEMBL9258620

SCHEMBL9258620

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.36
TACR1 P25103 1/20 0.36
HRH1 P35367 1/20 0.36
REN P00797 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX5AP P20292 1/20 0.34
SSTR4 P31391 2/20 0.34
ACSS2 Q9NR19 2/20 0.34
SSTR1 P30872 1/20 0.34
KHK P50053 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OGFRL1 Q5TC84 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL9259444 0.83 STS (0.45) KMT2AKDM4EOPRM1OPRD1OGFRL1
SCHEMBL9268763 0.83 HRH1 (0.42) TACR2TACR1HRH1MEN1KMT2A
SCHEMBL9258971 0.78 HRH1 (0.42) TACR2TACR1HRH1
SCHEMBL9268872 0.73 TACR2 (0.44) TACR2TACR1HRH1MEN1KMT2A
SCHEMBL9258610 0.71 KDM4E (0.39) TACR2TACR1HRH1RENKDM4E
SCHEMBL9260561 0.71 HRH1 (0.39) TACR2TACR1HRH1MEN1KMT2A
SCHEMBL9258366 0.70 HRH1 (0.63) TACR2TACR1HRH1CYP2D6
SCHEMBL9260920 0.70 KDM4E (0.50) MEN1KMT2AKDM4E
SCHEMBL7954906 0.69 HRH1 (0.52) HRH1KDM4E
SCHEMBL9258711 0.69 REN (0.40) TACR2TACR1HRH1RENKDM4E

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