SCHEMBL9532235

SCHEMBL9532235

COc1ccc2[nH]cc3c2c1CC(NCCCNCc1ccccc1)C3

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
DRD2 P14416 2/20 0.43
HTR2A P28223 1/20 0.39
GRIN2B Q13224 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
DRD3 P35462 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
CXCL12 P48061 1/20 0.36
CXCR4 P61073 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
SCHEMBL9531900 0.89 MTNR1A (0.60) MTNR1AMTNR1BDRD2GRIN2B
SCHEMBL9532979 0.81 MTNR1A (0.64) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL9537304 0.80 MTNR1A (0.58) MTNR1AMTNR1BDRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL9776461 0.79 MTNR1A (0.57) MTNR1AMTNR1BDRD2DRD3HTR1A
SCHEMBL10340388 0.79 MTNR1A (0.67) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL10340399 0.77 MTNR1A (0.64) MTNR1AMTNR1BDRD2DRD3
SCHEMBL9534218 0.75 MTNR1A (0.52) MTNR1AMTNR1BDRD2HTR2ADRD3
SCHEMBL11022976 0.75 MTNR1A (0.61) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL11036691 0.75 MTNR1A (0.71) MTNR1AMTNR1BDRD2DRD3
SCHEMBL10340372 0.74 MTNR1A (0.74) 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-0332968-B1 1,3,4,5-Tetrahydrobenz[c,d]indoles BAYER AG (DE) 1993-06-02 EP disclosed
EP-0332968-A1 1,3,4,5-Tetrahydrobenz[c,d]indoles BAYER AG (DE) 1989-09-20 EP disclosed