SCHEMBL24313458

SCHEMBL24313458

Cc1cc(N2CCCCCC2c2cc(N3CCC(C)C3)ccc2Cl)nc(N)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH4 Q9H3N8 6/20 0.39
HRH3 Q9Y5N1 4/20 0.37
MAPT P10636 3/20 0.36
GFER P55789 1/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
AVPR2 P30518 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
SMPD3 Q9NY59 1/20 0.33

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
SCHEMBL24313515 0.90 CRHBP (0.50) CRHBPCRHR2SMN1; SMN2HRH4HRH3
SCHEMBL24313097 0.83 CRHBP (0.47) CRHBPCRHR2SMN1; SMN2HRH4HRH3
SCHEMBL21516639 0.81 CRHBP (0.40) CRHBPCRHR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL24313314 0.81 CRHBP (0.45) CRHBPCRHR2SMN1; SMN2
SCHEMBL21491330 0.80 CRHBP (0.48) CRHBPCRHR2SMN1; SMN2HRH4HRH3
SCHEMBL21491441 0.80 CRHBP (0.48) CRHBPCRHR2SMN1; SMN2HRH4HRH3
SCHEMBL21491331 0.80 CRHBP (0.48) CRHBPCRHR2SMN1; SMN2HRH4HRH3
SCHEMBL29849049 0.80 CRHBP (0.48) CRHBPCRHR2SMN1; SMN2HRH4HRH3
SCHEMBL29456542 0.80 CRHBP (0.48) CRHBPCRHR2SMN1; SMN2HRH4HRH3
SCHEMBL24313218 0.80 CRHBP (0.43) CRHBPCRHR2SMN1; SMN2HRH4HRH3

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 2 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