SCHEMBL24313121

SCHEMBL24313121

Cc1cc(N2CCCCCC2c2ccc(F)cc2C2CC2)nc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.45
CRHR2 Q13324 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
NTRK1 P04629 13/20 0.40
JAK2 O60674 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
NTRK3 Q16288 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL29456349 1.00 CRHBP (0.45) CRHBPCRHR2SMN1; SMN2HCRTR1HCRTR2
SCHEMBL21516347 1.00 CRHBP (0.45) CRHBPCRHR2SMN1; SMN2HCRTR1HCRTR2
SCHEMBL29456514 1.00 CRHBP (0.45) CRHBPCRHR2SMN1; SMN2HCRTR1HCRTR2
SCHEMBL21516338 1.00 CRHBP (0.45) CRHBPCRHR2SMN1; SMN2HCRTR1HCRTR2
SCHEMBL24313462 0.89 CRHBP (0.47) CRHBPCRHR2SMN1; SMN2HCRTR1HCRTR2
SCHEMBL24313225 0.89 NTRK1 (0.49) CRHBPCRHR2SMN1; SMN2HCRTR1HCRTR2
SCHEMBL24313227 0.87 CRHBP (0.45) CRHBPCRHR2SMN1; SMN2HCRTR1HCRTR2
SCHEMBL24313314 0.87 CRHBP (0.45) CRHBPCRHR2SMN1; SMN2HCRTR1HCRTR2
SCHEMBL21517032 0.85 CRHBP (0.43) CRHBPCRHR2SMN1; SMN2HCRTR1HCRTR2
SCHEMBL21516317 0.85 CRHBP (0.43) CRHBPCRHR2SMN1; SMN2HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed
CN-112236428-A Antiproliferative compounds and uses thereof 默克专利股份有限公司 2021-01-15 CN disclosed