SCHEMBL4056499

SCHEMBL4056499

COCc1cc(Br)ccc1OCC1CCN(C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.40
NPY2R P49146 1/20 0.40
CCR5 P51681 7/20 0.40
SLC6A4 P31645 1/20 0.39
RIPK1 Q13546 1/20 0.39
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RET P07949 1/20 0.36

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
SCHEMBL4059921 0.82 GPR119 (0.45) KDM4E
SCHEMBL15538592 0.81 RET (0.44) SLC6A4KDM4ERET
SCHEMBL4051573 0.81 CCR5 (0.41) NPY1RCCR5KDM4ETDP1
SCHEMBL15537567 0.75 SIGMAR1 (0.43)
SCHEMBL23012550 0.73 PTGDR2 (0.48) NPY1RCCR5SLC6A4RET
SCHEMBL29964762 0.72 CCR5 (0.53) CCR5KDM4ETDP1
SCHEMBL15539056 0.71 PTGDR2 (0.41) NPY1RCCR5RET
SCHEMBL14774644 0.70 RIPK1 (0.43) NPY1RNPY2RCCR5SLC6A4RIPK1
SCHEMBL29964698 0.70 CCR5 (0.55) NPY1RNPY2RCCR5SLC6A4RIPK1
SCHEMBL29366131 0.69 HTR4 (0.40) KDM4E

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
WO-2009106565-A1 AGONISTS OF GPR119 BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed