SCHEMBL3972435

SCHEMBL3972435

CCOc1cc(CN(c2ccc(C(=O)N3CC[C@@H](O)C3)cn2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 4/20 0.41
HPGD P15428 1/20 0.37
SSTR5 P35346 1/20 0.37
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
CDK19 Q9BWU1 1/20 0.37
ADRA1A P35348 1/20 0.36
VNN1 O95497 3/20 0.36
KMT2A Q03164 1/20 0.36
GABRA5 P31644 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.35
USP1 O94782 1/20 0.35
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35

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
SCHEMBL3974558 0.90 GLA (0.41) PROKR1SSTR5ADRA1ARAB9AGLA
SCHEMBL3977471 0.89 RAB9A (0.40) PROKR1HPGDSSTR5KMT2ARAB9A
SCHEMBL3972516 0.89 GLA (0.42) PROKR1SSTR5VNN1KMT2ARAB9A
SCHEMBL3974588 0.89 HSD17B10 (0.43) PROKR1HPGDVNN1RAB9A
SCHEMBL3972831 0.86 RAB9A (0.37) PROKR1SSTR5KMT2ARAB9AGLA
SCHEMBL3972951 0.85 RXRA (0.42) SSTR5
SCHEMBL3977954 0.85 TACR1 (0.37) SSTR5
SCHEMBL3972521 0.81 KDM4E (0.38) SSTR5
SCHEMBL3973181 0.80 JAK2 (0.40) SSTR5KMT2AGABRA5
SCHEMBL3972553 0.80 SSTR5 (0.45) HPGDSSTR5RAB9A

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-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP claimed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO claimed
EP-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP disclosed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed