SCHEMBL9528112

SCHEMBL9528112

CCC(Cc1cccc(C#N)c1)NC1CCc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
GRIN2B Q13224 5/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
DPP4 P27487 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
PIN1 Q13526 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
NLRP3 Q96P20 1/20 0.36
KDM1A O60341 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
SCHEMBL9530209 0.88 MTNR1A (0.44) MTNR1AMTNR1BGRIN2BMAOAMAOB
SCHEMBL9240988 0.86 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL9531034 0.79 MTNR1A (0.44) MTNR1AMTNR1BGRIN2BMAOAMAOB
SCHEMBL9243758 0.75 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL9776910 0.74 GRIN2B (0.54) MTNR1AMTNR1BGRIN2BSIGMAR1SLC6A4
SCHEMBL9759575 0.72 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL9776908 0.69 MTNR1A (0.42) MTNR1AMTNR1BMAOASIGMAR1SLC6A4
SCHEMBL9239575 0.69 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL8674717 0.68 MTNR1A (0.39) MTNR1AMTNR1B
SCHEMBL14230253 0.67 GLA (0.41) MAOBSLC6A4SLC6A2PIN1NLRP3

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-0270947-B1 SUBSTITUTED BASIC 2-AMINOTETRALINES BAYER AG (DE) 1993-05-19 EP disclosed