SCHEMBL9259877

SCHEMBL9259877

N#CCCCCN1CCC(C(=O)c2nc3ccccc3n2CCCCC#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.49
TACR2 P21452 1/20 0.49
TACR1 P25103 1/20 0.49
KCNH2 Q12809 1/20 0.45
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MCHR1 Q99705 3/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTR2A P28223 1/20 0.41
CNR2 P34972 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL9268629 0.92 HRH1 (0.45) HRH1TACR2TACR1KCNH2TP53
SCHEMBL9267223 0.92 HRH1 (0.47) HRH1TACR2TACR1KCNH2TP53
SCHEMBL9268701 0.92 HRH1 (0.53) HRH1TACR2TACR1KCNH2
SCHEMBL9262955 0.88 HSD17B10 (0.44) HRH1TACR2TACR1TP53HSD17B10
SCHEMBL9260984 0.87 HRH1 (0.70) HRH1TACR2TACR1KCNH2TP53
SCHEMBL9266382 0.84 NOD2 (0.43) HRH1TACR2TACR1TP53HSD17B10
SCHEMBL9258336 0.83 NOD2 (0.42) HRH1TACR2TACR1TP53HSD17B10
SCHEMBL9260703 0.82 HRH1 (0.42) HRH1TACR2TACR1TP53HSD17B10
SCHEMBL9260991 0.81 HRH1 (0.51) HRH1TACR2TACR1KCNH2KDM4E
SCHEMBL9260700 0.81 HRH1 (0.42) HRH1TACR2TACR1TP53HSD17B10

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