SCHEMBL7366736

SCHEMBL7366736

COc1ccc2c(c1)CC[C@H]1COC(=O)N21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.49
HTR2B P41595 3/20 0.49
NOTUM Q6P988 2/20 0.46
OXTR P30559 3/20 0.44
SRD5A1 P18405 3/20 0.43
HSD17B10 Q99714 1/20 0.40
PRKDC P78527 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HTR6 P50406 1/20 0.39
PDE4B Q07343 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
SCHEMBL8742792 1.00 HTR2C (0.49) HTR2CHTR2BNOTUMOXTRSRD5A1
SCHEMBL7342239 1.00 HTR2C (0.49) HTR2CHTR2BNOTUMOXTRSRD5A1
SCHEMBL16589999 0.82 SRD5A1 (0.51) NOTUMSRD5A1
SCHEMBL7340995 0.80 NOTUM (0.49) HTR2BNOTUMSRD5A1HSD17B10DRD2
SCHEMBL7378144 0.80 NOTUM (0.49) HTR2BNOTUMSRD5A1HSD17B10DRD2
SCHEMBL16587000 0.80 NOTUM (0.49) NOTUMSRD5A1HTR6PDE4B
SCHEMBL7372067 0.80 NOTUM (0.49) HTR2BNOTUMSRD5A1HSD17B10DRD2
SCHEMBL7368233 0.78 MAOB (0.49) NOTUMOXTR
SCHEMBL3503762 0.78 MAOB (0.49) NOTUMOXTR
SCHEMBL3381033 0.76 OXTR (0.52) HTR2CHTR2BOXTRHTR6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699680-B1 Oxazoloquinolinone derivatives, their preparation and their use in therapy SANOFI SYNTHELABO (FR) 2000-03-08 EP disclosed
US-5641785-A ANTIDEPRESSANTS, NERVOUS SYSTEM DISORDERS SYNTHELABO (FR) 1997-06-24 US disclosed
EP-0699680-A1 Oxazoloquinolinone derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1996-03-06 EP disclosed