SCHEMBL9697152

SCHEMBL9697152

NCCN1CCC(C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 16/20 0.73
TACR1 P25103 2/20 0.73
TACR2 P21452 1/20 0.73
SSTR5 P35346 2/20 0.51
KCNH2 Q12809 2/20 0.51
NR4A2 P43354 1/20 0.51
CYP2D6 P10635 2/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL9544433 0.88 HRH1 (0.58) HRH1TACR1TACR2SSTR5KCNH2
SCHEMBL9264751 0.88 HRH1 (0.72) HRH1TACR1TACR2KCNH2CYP2D6
SCHEMBL9259670 0.87 HRH1 (0.69) HRH1TACR1TACR2SSTR5KCNH2
SCHEMBL9196229 0.85 HRH1 (0.66) HRH1TACR1TACR2SSTR5KCNH2
SCHEMBL9196398 0.85 HRH1 (1.00) HRH1TACR1TACR2SSTR5KCNH2
SCHEMBL9259609 0.84 HRH1 (0.67) HRH1TACR1TACR2KCNH2CYP2D6
SCHEMBL9258364 0.83 HRH1 (0.71) HRH1TACR1TACR2
SCHEMBL7474308 0.83 HRH1 (0.62) HRH1TACR1TACR2KCNH2NR4A2
SCHEMBL15568226 0.82 HRH1 (0.63) HRH1TACR1TACR2KCNH2
SCHEMBL9259200 0.82 HRH1 (0.63) HRH1TACR1TACR2KCNH2CYP2D6

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-1992006086-A1 NOVEL 4-PIPERIDINYLCARBONYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-16 WO disclosed