SCHEMBL9538985

SCHEMBL9538985

c1ccc(-n2c(CC3CCN(CCNc4ncccn4)CC3)nc3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.45
MKNK1 Q9BUB5 1/20 0.42
OPRL1 P41146 2/20 0.41
OGFRL1 Q5TC84 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRMT6 Q96LA8 2/20 0.40
CARM1 Q86X55 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
MCHR1 Q99705 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9538238 0.85 MEN1 (0.49) GRIN2BLMNAPRMT6CARM1GRM2
SCHEMBL9536325 0.82 KDM4E (0.48) OPRL1OGFRL1OPRM1OPRD1OPRK1
SCHEMBL9536807 0.80 SSTR5 (0.50) OPRM1OPRD1OPRK1LMNACHRM2
SCHEMBL9537145 0.79 SLC6A9 (0.53) GRIN2BMKNK1TSHR
SCHEMBL9536155 0.79 USP2 (0.42) GRIN2BMKNK1TSHR
SCHEMBL9537056 0.79 CCR3 (0.56) GRIN2BL3MBTL1DRD2DRD3HRH3
SCHEMBL9539219 0.78 HRH1 (0.42) GRIN2BMKNK1OPRL1OPRM1LMNA
SCHEMBL8565529 0.77 GRIN2B (0.38) GRIN2BMKNK1LMNADRD2DRD3
SCHEMBL9537264 0.74 GBA1 (0.46) LMNAL3MBTL1CHRM2CHRM4CHRM5
Water SCHEMBL1151596 0.72 KCNH2 (0.52) MKNK1OPRM1OPRD1OPRK1LMNA

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
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