SCHEMBL9531034

SCHEMBL9531034

CCC(Cc1ccccc1C#N)NC1CCc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
NPC1 O15118 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
GRIN2B Q13224 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL9239575 0.86 MTNR1A (0.51) MTNR1AMTNR1BCYP1A2CYP2C9DRD2
SCHEMBL9530209 0.81 MTNR1A (0.44) MTNR1AMTNR1BMAOAMAOBGRIN2B
SCHEMBL9759575 0.79 MTNR1A (0.43) MTNR1AMTNR1BCYP1A2CYP2C9DRD2
SCHEMBL9528112 0.79 MTNR1A (0.42) MTNR1AMTNR1BMAOAMAOBGRIN2B
SCHEMBL8674717 0.74 MTNR1A (0.39) MTNR1AMTNR1BCYP1A2CYP2C9DRD2
SCHEMBL9759071 0.71 MTNR1A (0.42) MTNR1AMTNR1BCYP1A2CYP2C9DRD2
SCHEMBL9243758 0.69 MTNR1A (0.51) MTNR1AMTNR1BCYP1A2CYP2C9DRD2
SCHEMBL13996919 0.68 DRD2 (0.62) MTNR1AMTNR1BMAOAMAOBGRIN2B
SCHEMBL9776910 0.67 GRIN2B (0.54) MTNR1AMTNR1BGRIN2BSIGMAR1DRD2
SCHEMBL9185060 0.67 DRD2 (0.55) MTNR1AMTNR1BCYP1A2CYP2C9DRD2

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