SCHEMBL4236958

SCHEMBL4236958

CCOc1cc(CN2CCC(N(c3nccc(C(F)(F)F)n3)N(c3nccc(C(F)(F)F)n3)C3CCNCC3)CC2)cc(OCC)c1N

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 17/20 0.43
HRH1 P35367 2/20 0.41
SSTR1 P30872 1/20 0.41
KCNH2 Q12809 4/20 0.38
SYK P43405 1/20 0.36
SSTR3 P32745 1/20 0.36
ADRB1 P08588 1/20 0.35
ACKR3 P25106 1/20 0.34

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
SCHEMBL4230577 0.88 SSTR5 (0.44) SSTR5HRH1KCNH2SYKSSTR3
SCHEMBL4232885 0.86 SSTR5 (0.46) SSTR5HRH1SSTR1KCNH2SSTR3
SCHEMBL4236956 0.80 SSTR5 (0.43) SSTR5HRH1SSTR1KCNH2SYK
SCHEMBL3775485 0.79 SSTR5 (0.57) SSTR5HRH1SSTR1KCNH2SYK
SCHEMBL4230352 0.79 SSTR5 (0.43) SSTR5HRH1SSTR1KCNH2SSTR3
SCHEMBL4232220 0.78 SSTR5 (0.46) SSTR5HRH1KCNH2SSTR3
SCHEMBL4236962 0.77 HTR2C (0.42) SSTR5HRH1SSTR1KCNH2SYK
SCHEMBL4232088 0.77 SSTR5 (0.44) SSTR5HRH1SSTR1KCNH2SSTR3
SCHEMBL4236623 0.77 SSTR5 (0.41) SSTR5KCNH2SSTR3
SCHEMBL4953703 0.76 SSTR5 (0.50) SSTR5HRH1SSTR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed