SCHEMBL10340261

SCHEMBL10340261

COc1ccc2[nH]cc3c2c1CC(N(Cc1ccccc1)Cc1ccccc1)C3

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
HTR1D P28221 4/20 0.47
HTR1B P28222 4/20 0.47
DRD2 P14416 1/20 0.47
HTR1A P08908 1/20 0.45

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
SCHEMBL9534389 0.90 HTR1D (0.46) MTNR1AMTNR1BHTR1DHTR1BDRD2
SCHEMBL9535224 0.89 HTR1D (0.45) MTNR1AMTNR1BHTR1DHTR1BDRD2
SCHEMBL11019525 0.84 MTNR1A (0.54) MTNR1AMTNR1BHTR1DHTR1BDRD2
SCHEMBL9776435 0.84 HTR1D (0.44) MTNR1AMTNR1BHTR1DHTR1BDRD2
SCHEMBL6890172 0.82 HTR1A (0.65) MTNR1AMTNR1BHTR1DHTR1BHTR1A
Hydrochloric Acid SCHEMBL7716614 0.81 HTR1A (0.64) MTNR1AMTNR1BHTR1DHTR1BHTR1A
SCHEMBL11021292 0.81 MTNR1A (0.50) MTNR1AMTNR1BHTR1DHTR1BHTR1A
SCHEMBL11021107 0.81 HTR1A (0.56) MTNR1AMTNR1BHTR1DHTR1BHTR1A
SCHEMBL9790366 0.80 MTNR1A (0.57) MTNR1AMTNR1BHTR1DHTR1BDRD2
SCHEMBL9536375 0.80 DRD2 (0.42) MTNR1AMTNR1BHTR1DHTR1BDRD2

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-0162695-B1 6-OXYGENATED-1,3,,4,5-TETRAHYDROBENZ(CD)INDOL-4-AMINES SMITHKLINE BEECHAM CORPORATION (US) 1990-01-17 EP disclosed
EP-0162695-A1 6-Oxygenated-1,3,,4,5-Tetrahydrobenz(cd)indol-4-amines SMITHKLINE BEECHAM CORPORATION (US) 1985-11-27 EP disclosed