SCHEMBL10548822

SCHEMBL10548822

Nc1ccncc1NC(=O)NSCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
NR4A2 P43354 1/20 0.41
SSTR5 P35346 2/20 0.41
HRH1 P35367 7/20 0.40
TACR2 P21452 1/20 0.40
TACR1 P25103 1/20 0.40
MCHR1 Q99705 1/20 0.40
CYP2D6 P10635 4/20 0.39
HRH4 Q9H3N8 1/20 0.39
CCR3 P51677 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL10801856 0.94 NPSR1 (0.39) SSTR5CYP2D6
SCHEMBL10548471 0.93 MEN1 (0.39) TP53
SCHEMBL1151613 0.88 SSTR5 (0.56) KCNH2NR4A2SSTR5HRH1TACR2
SCHEMBL10798744 0.87 SLC6A9 (0.44) CYP2D6TP53
SCHEMBL10549709 0.87 MAPT (0.38) HRH1
SCHEMBL9807304 0.85 EED (0.54) KCNH2NR4A2SSTR5HRH1TACR2
SCHEMBL10552831 0.85 KCNH2 (0.47) KCNH2NR4A2SSTR5HRH1TACR2
SCHEMBL10548825 0.84 KCNH2 (0.42) KCNH2NR4A2SSTR5HRH1TACR2
SCHEMBL9739865 0.84 SSTR5 (0.54) KCNH2NR4A2SSTR5HRH1TACR2
SCHEMBL11470118 0.80 SSTR5 (0.60) KCNH2NR4A2SSTR5HRH1TACR2

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-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed