SCHEMBL9503999

SCHEMBL9503999

COc1ccc2[nH]cc3c2c1CC(N)C3

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.60
MTNR1B P49286 4/20 0.60
ADRA1A P35348 4/20 0.57
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL9790366 0.80 MTNR1A (0.57) MTNR1AMTNR1BDRD2DRD3
SCHEMBL11036691 0.80 MTNR1A (0.71) MTNR1AMTNR1BDRD2DRD3
SCHEMBL23261875 0.77 MAP3K14 (0.39) MTNR1AMTNR1BDRD2
SCHEMBL23261947 0.77 DRD2 (0.38) MTNR1AMTNR1BDRD2DRD3HTR2A
SCHEMBL10340613 0.77 MAOA (0.48) MTNR1AMTNR1BDRD2DRD3
SCHEMBL11019525 0.77 MTNR1A (0.54) MTNR1AMTNR1BDRD2DRD3
SCHEMBL10340388 0.77 MTNR1A (0.67) MTNR1AMTNR1BDRD2DRD3
SCHEMBL10340259 0.77 MTNR1A (0.57) MTNR1AMTNR1BADRA1AHTR2AHTR2C
SCHEMBL9790351 0.77 MTNR1A (0.46) MTNR1AMTNR1BADRA1A
SCHEMBL10340217 0.76 MTNR1A (0.69) 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 9 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 claimed
EP-0162695-A1 6-Oxygenated-1,3,,4,5-Tetrahydrobenz(cd)indol-4-amines SMITHKLINE BEECHAM CORPORATION (US) 1985-11-27 EP claimed
EP-0360077-B1 USE OF SEROTONIN ANTAGONISTS IN THE TREATMENT OF APOPLEXIA CEREBRI Troponwerke GmbH & Co. KG (DE) 1993-07-21 EP disclosed
EP-0332968-B1 1,3,4,5-Tetrahydrobenz[c,d]indoles BAYER AG (DE) 1993-06-02 EP disclosed
US-5021438-A Having affinity for 5-hydroxytryptamine receptors; treating central nervous system and cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
EP-0360077-A2 Use of serotonin antagonists in the treatment of apoplexia cerebri Troponwerke GmbH & Co. KG (DE) 1990-03-28 EP disclosed
EP-0162695-B1 6-OXYGENATED-1,3,,4,5-TETRAHYDROBENZ(CD)INDOL-4-AMINES SMITHKLINE BEECHAM CORPORATION (US) 1990-01-17 EP disclosed
EP-0332968-A1 1,3,4,5-Tetrahydrobenz[c,d]indoles BAYER AG (DE) 1989-09-20 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