SCHEMBL7377583

SCHEMBL7377583

Nc1cc(CCC(N)C(=O)c2nccs2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
PLA2G4A P47712 3/20 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
SCHEMBL7369216 0.87 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31369835 0.78 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15389643 0.78 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7372485 0.77 ALDH1A1 (0.38) PLA2G4ACES1CPB2ALDH1A1CASP3
SCHEMBL8800894 0.74 ALDH1A1 (0.44) PLA2G4ACES1ALDH1A1F2F10
SCHEMBL7377556 0.73 ALDH1A1 (0.43) PLA2G4ACES1ALDH1A1F2F10
SCHEMBL8059228 0.72 HRH4 (0.38) PLA2G4ACES1ALDH1A1CASP3SENP8
SCHEMBL8070140 0.72 ALDH1A1 (0.36) PLA2G4AALDH1A1
SCHEMBL7374711 0.72 ALDH1A1 (0.44) PLA2G4ACES1ALDH1A1F2CMA1
SCHEMBL7950828 0.72 ALDH1A1 (0.42) PLA2G4ACES1ALDH1A1F2F10

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
US-6057314-A ANTICOAGULANTS BIOCHEM PHARMA INC. (CA) 2000-05-02 US disclosed
EP-0802916-A1 LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS BIOCHEM PHARMA INC (CA) 1997-10-29 EP disclosed
WO-1996019483-A1 LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS BIOCHEM PHARMA INC. (CA) 1996-06-27 WO disclosed