SCHEMBL7750629

SCHEMBL7750629

CCn1c2ccc(F)cc2c2c(CC(=O)O)nn(-c3ccccc3)c(=O)c21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 1/20 0.45
▸ MAPT P10636 2/20 0.41
▸ PTGDR2 Q9Y5Y4 5/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PTGDR Q13258 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ AKR1B1 P15121 1/20 0.38

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
SCHEMBL7494156 0.90 TSPO (0.58) TSPO
SCHEMBL7497068 0.90 DHODH (0.46) TSPOMAPTPTGDR2DHODHKDM4E
SCHEMBL7497415 0.88 KDM4E (0.41) TSPOMAPTPTGDR2DHODHKDM4E
SCHEMBL7492350 0.85 POLB (0.42) MAPTPTGDR2KDM4EMAPK1L3MBTL1
SCHEMBL7499843 0.85 CYP1A2 (0.41) TSPOMAPTDHODHKDM4EMAPK1
SCHEMBL7750405 0.82 SMN1; SMN2 (0.45) MAPTKDM4EMAPK1L3MBTL1ALDH1A1
SCHEMBL7497413 0.80 MAPT (0.42) TSPOMAPTPTGDR2DHODH
SCHEMBL7494560 0.77 LMNA (0.37) TSPOMAPTPTGDR2KDM4EALDH1A1
SCHEMBL7750388 0.76 TSPO (0.56) TSPOMAPTKDM4EMAPK1ALDH1A1
SCHEMBL7750398 0.75 TSPO (0.69) TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262045-B1 TREATMENT OF ANXIETY; SLEEP DISORDER; EPILEPSY; SPASTICITY; MUSCLE CONTRACTURE OR AN EXTRAPYRAMIDAL SYNDROM; INDUCING OR MAINTAINING ANAESTHESIA SANOFI-SYNTHELABO (FR) 2001-07-17 — — US disclosed
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