SCHEMBL9530209

SCHEMBL9530209

CCC(Cc1ccc(C#N)cc1)NC1CCc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
SLC6A4 P31645 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
GRIN2B Q13224 5/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TAOK1 Q7L7X3 4/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
TAOK3 Q9H2K8 3/20 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
SCHEMBL9528112 0.88 MTNR1A (0.42) MTNR1AMTNR1BSLC6A4MAOAMAOB
SCHEMBL9243758 0.84 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL9531034 0.81 MTNR1A (0.44) MTNR1AMTNR1BMAOAMAOBGRIN2B
SCHEMBL9776910 0.74 GRIN2B (0.54) MTNR1AMTNR1BSLC6A4GRIN2BSIGMAR1
SCHEMBL9240988 0.74 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL9759575 0.72 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL9776908 0.70 MTNR1A (0.42) MTNR1AMTNR1BSLC6A4MAOAKMT2A
SCHEMBL9239575 0.69 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL13996919 0.68 DRD2 (0.62) MTNR1AMTNR1BMAOAMAOBGRIN2B
SCHEMBL8674717 0.67 MTNR1A (0.39) MTNR1AMTNR1B

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-0270947-B1 SUBSTITUTED BASIC 2-AMINOTETRALINES BAYER AG (DE) 1993-05-19 EP disclosed
EP-0270947-A2 Substituted basic 2-aminotetralines BAYER AG (DE) 1988-06-15 EP disclosed