SCHEMBL9260700

SCHEMBL9260700

COC(=O)COC(C)N1CCC(C(=O)c2nc3ccccc3n2CCCCC#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.42
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42
REN P00797 5/20 0.39
CNR2 P34972 2/20 0.38
F10 P00742 1/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9282529 0.86 HRH1 (0.40) HRH1TACR2TACR1RENCNR2
SCHEMBL9258963 0.85 HRH1 (0.42) HRH1TACR2TACR1HSD17B10ALDH1A1
SCHEMBL9260568 0.85 HRH1 (0.48) HRH1TACR2TACR1
SCHEMBL9268866 0.85 HRH1 (0.43) HRH1TACR2TACR1F10HSD17B10
SCHEMBL9260991 0.82 HRH1 (0.51) HRH1TACR2TACR1RENLMNA
SCHEMBL9259877 0.81 HRH1 (0.49) HRH1TACR2TACR1CNR2TP53
SCHEMBL9258370 0.81 HRH1 (0.62) HRH1TACR2TACR1TP53ALDH1A1
SCHEMBL9260703 0.79 HRH1 (0.42) HRH1TACR2TACR1RENCNR2
SCHEMBL9268629 0.78 HRH1 (0.45) HRH1TACR2TACR1CNR2TP53
SCHEMBL9268701 0.78 HRH1 (0.53) HRH1TACR2TACR1

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