SCHEMBL10340259

SCHEMBL10340259

COc1ccc2[nH]cc3c2c1CC([N+](=O)[O-])C3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.57
MTNR1B P49286 5/20 0.57
NQO2 P16083 1/20 0.38
HTR1A P08908 1/20 0.34
ADRA1A P35348 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32

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
SCHEMBL10340263 0.80 MAOA (0.44) MTNR1AMTNR1BHTR1AHTR2A
SCHEMBL9503999 0.77 MTNR1A (0.60) MTNR1AMTNR1BADRA1AHTR2AHTR2C
SCHEMBL10340217 0.76 MTNR1A (0.69) MTNR1AMTNR1BHTR1DHTR1B
SCHEMBL11036691 0.75 MTNR1A (0.71) MTNR1AMTNR1B
SCHEMBL9790366 0.75 MTNR1A (0.57) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL23248790 0.74 MEN1 (0.40) MAPT
SCHEMBL10340368 0.72 MTNR1A (0.49) MTNR1AMTNR1BNQO2HTR2AHTR2C
Oxalic Acid SCHEMBL10340374 0.72 MTNR1A (0.61) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL8409987 0.72 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL10340388 0.72 MTNR1A (0.67) MTNR1AMTNR1BHTR1DHTR1B

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 4 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-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