SCHEMBL6754458

SCHEMBL6754458

COC(=O)CCCCCNS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
SCN1A P35498 2/20 0.64
SCN2A Q99250 2/20 0.64
SCN3A Q9NY46 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C19 P33261 2/20 0.64
KDM4E B2RXH2 1/20 0.64
CYP2C9 P11712 1/20 0.64
HSD17B10 Q99714 1/20 0.64
NPY5R Q15761 6/20 0.61
PRKD3 O94806 1/20 0.56
PRKCG P05129 1/20 0.56
PRKCB P05771 1/20 0.56
PRKCA P17252 1/20 0.56
PRKACA P17612 1/20 0.56
PRKACG P22612 1/20 0.56
PRKACB P22694 1/20 0.56
PRKCH P24723 1/20 0.56
PRKCI P41743 1/20 0.56

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
SCHEMBL7238847 0.90 PRKD3 (0.64) ALDH1A1SCN1ASCN2ASCN3ACYP1A2
SCHEMBL11629096 0.89 SCN1A (0.60) ALDH1A1SCN1ASCN2ASCN3ACYP1A2
SCHEMBL6754556 0.86 ALDH1A1 (0.69) ALDH1A1SCN1ASCN2ASCN3ACYP1A2
SCHEMBL18257232 0.83 HDAC4 (0.76) ALDH1A1CYP3A4CYP2C19HSD17B10HDAC4
SCHEMBL11626888 0.82 CYP3A4 (0.68) ALDH1A1SCN1ASCN2ASCN3ACYP1A2
Hydrochloric Acid SCHEMBL11626592 0.81 SCN1A (0.69) ALDH1A1SCN1ASCN2ASCN3ACYP1A2
SCHEMBL29141930 0.81 CYP3A4 (0.74) ALDH1A1SCN1ASCN2ASCN3ACYP1A2
SCHEMBL10676001 0.81 SCN1A (0.51) ALDH1A1SCN1ASCN2ASCN3ACYP1A2
SCHEMBL8893081 0.81 NPY5R (0.72) ALDH1A1SCN1ASCN2ASCN3ACYP1A2
SCHEMBL27488281 0.80 CYP1A2 (0.72) ALDH1A1SCN1ASCN2ASCN3ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713473-B1 6-CARBAMATE-1,2,3,4-TETRAHYDROCARBAZOLE DERIVATIVES; AFFINITY FOR NEUROPEPTIDE Y RECEPTORS MEIJI SEIKA KAISHA, LTD. (JP) 2004-03-30 US disclosed
EP-1184373-A1 TRICYCLIC COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 2002-03-06 EP disclosed