SCHEMBL9535099

SCHEMBL9535099

O=c1cc[nH]c(NCCN2CCC(Cc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.46
KCNH2 Q12809 5/20 0.44
NR4A2 P43354 1/20 0.44
RAB9A P51151 1/20 0.44
HRH1 P35367 5/20 0.43
CYP2D6 P10635 4/20 0.43
CHRM1 P11229 3/20 0.43
HRH4 Q9H3N8 2/20 0.43
MCHR1 Q99705 1/20 0.43
MEN1 O00255 1/20 0.43
MLNR O43193 1/20 0.43
CACNA1F O60840 1/20 0.43
EED O75530 1/20 0.43
USP2 O75604 1/20 0.43
ABCB11 O95342 1/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
HLA-A P04439 1/20 0.43
ERBB2 P04626 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL9698301 0.85 SSTR5 (0.66) SSTR5KCNH2NR4A2HRH1CYP2D6
SCHEMBL9536246 0.85 TSHR (0.49) SSTR5KCNH2NR4A2RAB9AHRH1
SCHEMBL9536807 0.83 SSTR5 (0.50) SSTR5KCNH2NR4A2RAB9AHRH1
SCHEMBL10549525 0.82 RAB9A (0.55) SSTR5KCNH2NR4A2RAB9AHRH1
SCHEMBL11017092 0.81 SSTR5 (0.49) SSTR5KCNH2NR4A2RAB9AHRH1
SCHEMBL9537110 0.81 SSTR5 (0.49) SSTR5KCNH2NR4A2RAB9AHRH1
SCHEMBL9539506 0.81 SSTR5 (0.44) SSTR5KCNH2NR4A2RAB9AHRH1
Fumaric Acid SCHEMBL10553479 0.81 HRH1 (0.46) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL9536847 0.80 KCNH2 (0.49) SSTR5KCNH2NR4A2RAB9AHRH1
SCHEMBL10547535 0.80 KCNH2 (0.54) SSTR5KCNH2NR4A2RAB9AHRH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP claimed
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
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