SCHEMBL4229245

SCHEMBL4229245

CCOc1cc(CN2CCC(Nc3ncc(-c4ccccc4)cn3)CC2)cc(OCC)c1N.c1ccc(-c2cnc(NC3CCNCC3)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 16/20 0.56
HRH1 P35367 4/20 0.47
SSTR1 P30872 1/20 0.47
HTR2B P41595 2/20 0.44
HDAC1 Q13547 1/20 0.43
ACHE P22303 2/20 0.42
BACE1 P56817 1/20 0.42
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL3776264 0.94 SSTR5 (0.61) SSTR5HRH1SSTR1HTR2BACHE
SCHEMBL4225536 0.91 SSTR5 (0.49) SSTR5HRH1SSTR1HTR2BACHE
SCHEMBL4222426 0.91 SSTR5 (0.46) SSTR5HRH1HTR2BACHEBACE1
SCHEMBL4234203 0.91 SSTR5 (0.56) SSTR5HRH1HTR2B
SCHEMBL4228304 0.89 SSTR5 (0.48) SSTR5HRH1HTR2BACHEBACE1
SCHEMBL4231286 0.89 SSTR5 (0.56) SSTR5HRH1SSTR1HTR2BACHE
SCHEMBL4236818 0.88 SSTR5 (0.47) SSTR5HRH1HTR2BHDAC1ACHE
SCHEMBL4230567 0.88 SSTR5 (0.57) SSTR5HRH1HTR2BACHE
SCHEMBL4233983 0.85 SSTR5 (0.47) SSTR5HRH1HTR2BACHE
SCHEMBL3773257 0.85 SSTR5 (0.55) SSTR5HRH1SSTR1HTR2BBACE1

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