SCHEMBL24313136

SCHEMBL24313136

Cc1cc(N2CCCCCC2c2ccccc2Cl)ncn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 7/20 0.41
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRNA7 P36544 2/20 0.37
CCR5 P51681 1/20 0.37
CYP17A1 P05093 1/20 0.36
MAOB P27338 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
SCHEMBL24313474 0.84 PRCP (0.43) PRCPMAPTCYP17A1
SCHEMBL29849049 0.81 CRHBP (0.48) KDM4EMAPTL3MBTL1CHRNA7
SCHEMBL21491331 0.81 CRHBP (0.48) KDM4EMAPTL3MBTL1CHRNA7
SCHEMBL21491330 0.81 CRHBP (0.48) KDM4EMAPTL3MBTL1CHRNA7
SCHEMBL29456542 0.81 CRHBP (0.48) KDM4EMAPTL3MBTL1CHRNA7
SCHEMBL21491441 0.81 CRHBP (0.48) KDM4EMAPTL3MBTL1CHRNA7
SCHEMBL24313222 0.80 JAK2 (0.35) PRCPKDM4EMAPTL3MBTL1CYP17A1
SCHEMBL24654694 0.78 PRCP (0.35) PRCPCYP17A1
SCHEMBL24654724 0.78 PSEN1 (0.39) PRCPKDM4EMAPTL3MBTL1CHRNA7
SCHEMBL24313221 0.77 HDAC6 (0.43) PRCPKDM4EMAPTL3MBTL1CHRNA7

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-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed