SCHEMBL8300330

SCHEMBL8300330

COC(=O)CCC(=O)c1ccc2c(c1)CC(CCCCNC(C)=O)C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.43
MTNR1A P48039 7/20 0.41
MTNR1B P49286 6/20 0.41
DRD3 P35462 1/20 0.38
MCHR1 Q99705 1/20 0.38
NQO2 P16083 3/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
NAMPT P43490 1/20 0.34

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
SCHEMBL8292532 0.92 MTNR1A (0.47) TBXA2RMTNR1AMTNR1BMCHR1NQO2
SCHEMBL8296298 0.86 MTNR1A (0.44) TBXA2RMTNR1AMTNR1BMCHR1
SCHEMBL10405811 0.77 CA1 (0.40) MCHR1MEN1LMNAKMT2A
SCHEMBL8303981 0.77 MCHR1 (0.40) DRD3MCHR1MEN1LMNAKMT2A
SCHEMBL8291459 0.76 DRD3 (0.58) MTNR1AMTNR1BDRD3NAMPT
Hydrochloric Acid SCHEMBL10406133 0.76 CA1 (0.39) MCHR1MEN1LMNAKMT2A
SCHEMBL8917515 0.73 MTNR1A (0.60) MTNR1AMTNR1BNQO2
SCHEMBL8114367 0.72 THRA (0.49) MTNR1AMTNR1B
SCHEMBL8110213 0.71 THRA (0.51) MTNR1AMTNR1B
SCHEMBL8911962 0.69 DRD3 (0.40) DRD3

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-0661273-B1 Indane derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-19 EP disclosed
US-5686452-A PROTECTING FROM ENDOTOXIN SHOCK; TREATMENT OF NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-11-11 US disclosed
EP-0661273-A1 Indane derivative and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP disclosed