SCHEMBL8296463

SCHEMBL8296463

O=C(O)CNC1(C(=O)OCc2ccccc2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7360632 0.99 CTSL (0.49) CTSLCTSBCTSSDDB1CRBN
SCHEMBL6166888 0.94 DDB1 (0.48) DDB1CRBNALDH1A1LMNASMN1; SMN2
SCHEMBL5592243 0.84 CTSB (0.45) CTSLCTSBCTSSDDB1CRBN
SCHEMBL7411019 0.82 CTSL (0.46) CTSLCTSBCTSSDDB1CRBN
SCHEMBL12661032 0.81 CTSL (0.54) CTSLCTSBCTSSDDB1CRBN
SCHEMBL13177736 0.81 CTSL (0.54) CTSLCTSBCTSSDDB1CRBN
SCHEMBL8283714 0.81 CTSL (0.51) CTSLCTSBCTSSDDB1CRBN
SCHEMBL15461470 0.80 CTSB (0.50) CTSLCTSBCTSSDDB1CRBN
SCHEMBL13254197 0.79 CTSL (0.49) CTSLCTSBCTSSDDB1CRBN
SCHEMBL15114553 0.79 ALDH1A1 (0.49) DDB1CRBNALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0477049-B1 Amido-3-pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 1999-12-01 EP disclosed
US-5744493-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 US disclosed
US-5744491-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 US disclosed
US-5635526-A POSSESSES ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM OR THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1997-06-03 US disclosed
US-5616592-A USEFUL FOR DISORDERS OF CARDIOVASCULAR, GASTROINTESTINAL AND PSYCHOLOGICAL DISORDERS SANOFI (FR) 1997-04-01 US disclosed
US-5607958-A NEUROTENSIN RECEPTOR BINDERS SANOFI (FR) 1997-03-04 US disclosed
US-5420141-A Capable of binding to neurotensin receptor SANOFI (FR) 1995-05-30 US disclosed
EP-0477049-A1 Amido-3-pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-03-25 EP disclosed