SCHEMBL9306027

SCHEMBL9306027

Cc1cccc(Cn2c(NC3CCN(CCNc4ncccn4)CC3)nc3cccnc32)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.38
KCNH2 Q12809 7/20 0.37
TP53 P04637 2/20 0.37
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
HRH1 P35367 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
MEN1 O00255 1/20 0.37
MLNR O43193 1/20 0.37
CACNA1F O60840 1/20 0.37
EED O75530 1/20 0.37
USP2 O75604 1/20 0.37
ABCB11 O95342 1/20 0.37
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.37
HLA-A P04439 1/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL9698779 0.90 HRH1 (0.45) SSTR5KCNH2TP53HTR1ADRD2
SCHEMBL8133192 0.88 SSTR5 (0.39) SSTR5KCNH2TP53HTR1ADRD2
SCHEMBL8121302 0.88 HRH1 (0.47) SSTR5KCNH2TP53HTR1ADRD2
SCHEMBL9690941 0.85 HRH1 (0.41) SSTR5KCNH2TP53HTR1ADRD2
Fumaric Acid SCHEMBL10818165 0.83 GPR6 (0.41) SSTR5KCNH2TP53DRD4HRH1
SCHEMBL1152440 0.82 HPGD (0.38) SSTR5KCNH2TP53HTR1ADRD2
SCHEMBL10382570 0.81 SLC6A9 (0.44) SSTR5KCNH2TP53HTR1ADRD2
SCHEMBL27299125 0.81 CHRM2 (0.40) TP53CHRM2CHRM1CHRM3LMNA
SCHEMBL9629371 0.80 HTR1A (0.42) SSTR5KCNH2TP53HTR1ADRD2
SCHEMBL8128050 0.79 NOS2 (0.53) MEN1LMNAGAAMAPTHTT

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-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