SCHEMBL8042547

SCHEMBL8042547

O=C(NC1C2CC3CC(C2)CC1C3)c1cc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.50
SLC16A3 O15427 2/20 0.49
SLC16A1 P53985 2/20 0.49
MCTS1 Q9ULC4 2/20 0.49
MALT1 Q9UDY8 1/20 0.49
MARS1 P56192 7/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMPD1 P17405 1/20 0.45
JAK2 O60674 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX2 P34913 1/20 0.41
FAAH O00519 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
SCHEMBL8046158 0.86 SLC16A3 (0.50) CNR2SLC16A3SLC16A1MCTS1MALT1
SCHEMBL8742182 0.81 CNR1 (0.62) CNR2MALT1MARS1LMNAHTT
SCHEMBL8368101 0.81 SLC16A3 (0.60) SLC16A3SLC16A1MCTS1MALT1MARS1
SCHEMBL8364830 0.79 MARS1 (0.69) SLC16A3SLC16A1MCTS1MALT1MARS1
Hydrochloric Acid SCHEMBL8368102 0.78 MARS1 (0.67) SLC16A3SLC16A1MCTS1MALT1MARS1
SCHEMBL8369870 0.77 SLC16A3 (0.62) SLC16A3SLC16A1MCTS1MALT1MARS1
SCHEMBL8366583 0.74 SMPD1 (0.53) SLC16A3SLC16A1MCTS1MALT1MARS1
SCHEMBL8366696 0.73 MARS1 (0.64) SLC16A3SLC16A1MCTS1MALT1MARS1
SCHEMBL8368082 0.72 SLC16A3 (0.56) SLC16A3SLC16A1MCTS1MALT1MARS1
SCHEMBL8369720 0.71 MARS1 (0.56) SLC16A3SLC16A1MCTS1MALT1MARS1

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-0868420-B1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI SYNTHELABO (FR) 2000-03-29 EP disclosed
US-5925768-A ANTIINFLAMMATORY AGENTS; ANALGESICS, ANTICOAGULANTS, NARCOTICS SANOFI (FR) 1999-07-20 US disclosed
EP-0885889-A2 Process for the preparation of pyrazole-3-carboxylic acids SANOFI (FR) 1998-12-23 EP disclosed
EP-0868420-A1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI (FR) 1998-10-07 EP disclosed
WO-1997021682-A1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI (FR) 1997-06-19 WO disclosed