SCHEMBL9531900

SCHEMBL9531900

COc1ccc2[nH]cc3c2c1CC(NCc1ccccc1)C3

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.60
MTNR1B P49286 2/20 0.60
DRD2 P14416 1/20 0.54
GRIN2B Q13224 2/20 0.43
FYN P06241 1/20 0.43
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL9532235 0.89 MTNR1A (0.53) MTNR1AMTNR1BDRD2GRIN2B
SCHEMBL10340388 0.84 MTNR1A (0.67) MTNR1AMTNR1BDRD2
SCHEMBL9532979 0.82 MTNR1A (0.64) MTNR1AMTNR1BDRD2
SCHEMBL10340399 0.82 MTNR1A (0.64) MTNR1AMTNR1BDRD2
SCHEMBL10340393 0.82 FYN (0.56) MTNR1AMTNR1BDRD2GRIN2BFYN
SCHEMBL11022976 0.81 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL11036691 0.80 MTNR1A (0.71) MTNR1AMTNR1BDRD2
Hydrochloric Acid SCHEMBL10447152 0.80 DRD2 (0.61) DRD2GRIN2BFYNBCHEACHE
SCHEMBL10340372 0.78 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL10340261 0.77 MTNR1A (0.49) MTNR1AMTNR1BDRD2

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 5 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
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-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