SCHEMBL8133192

SCHEMBL8133192

Cc1cccc(Cn2c(NC3CCN(CCN)CC3)nc3cccnc32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.39
KCNH2 Q12809 10/20 0.39
HRH1 P35367 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
MEN1 O00255 1/20 0.38
MLNR O43193 1/20 0.38
CACNA1F O60840 1/20 0.38
EED O75530 1/20 0.38
USP2 O75604 1/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
HLA-A P04439 1/20 0.38
ERBB2 P04626 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
SCHEMBL8121302 0.91 HRH1 (0.47) SSTR5KCNH2HRH1CHRM2CHRM1
SCHEMBL9699544 0.89 HRH1 (0.47) SSTR5KCNH2HRH1CHRM2CHRM1
SCHEMBL9306027 0.88 SSTR5 (0.38) SSTR5KCNH2HRH1CHRM2CHRM1
Water SCHEMBL6662104 0.86 KCNH2 (0.42) SSTR5KCNH2HRH1CHRM2CHRM1
Hydrochloric Acid SCHEMBL5124598 0.85 KCNH2 (0.41) SSTR5KCNH2HRH1CHRM2CHRM1
SCHEMBL9630368 0.84 HRH1 (0.43) SSTR5KCNH2HRH1CHRM2CHRM1
SCHEMBL4987952 0.83 SSTR5 (0.38) SSTR5KCNH2HRH1CHRM2CHRM1
SCHEMBL5114336 0.83 HTR5A (0.41) SSTR5KCNH2HRH1CHRM2CHRM1
SCHEMBL27299125 0.83 CHRM2 (0.40) CHRM2CHRM1CHRM3LMNATP53
SCHEMBL10507001 0.82 SSTR5 (0.59) SSTR5KCNH2HRH1CHRM2CHRM1

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-0539420-B1 SUBSTITUTED THIAZOLYL AND SUBSTITUTED PYRIDINYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2000-01-05 EP disclosed
US-5360807-A Substituted thiazolyl and substituted pyridinyl derivatives JANSSEN PHARMACEUTICA N.V. (BF) 1994-11-01 US disclosed
EP-0539420-A1 NOVEL SUBSTITUTED THIAZOLYL AND SUBSTITUTED PYRIDINYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-05-05 EP disclosed
WO-1992001697-A1 NOVEL SUBSTITUTED THIAZOLYL AND SUBSTITUTED PYRIDINYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-06 WO disclosed