SCHEMBL3399714

SCHEMBL3399714

Cc1nc(-c2cc(C(F)(F)F)ccc2Cl)sc1C(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.43
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
SCN9A Q15858 2/20 0.41
RORC P51449 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
LMNA P02545 1/20 0.40
CES2 O00748 1/20 0.39

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
SCHEMBL13072002 0.92 HTR2C (0.46) HTR2CLMNACES2
SCHEMBL3397121 0.92 HTR2C (0.46) HTR2CLMNACES2
SCHEMBL3405168 0.88 HTR2C (0.46) HTR2CALDH1A1HPGDSMN1; SMN2SCN10A
SCHEMBL3405561 0.85 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2SCN10ALMNA
SCHEMBL3401061 0.84 RORC (0.47) HTR2CALDH1A1SCN9ARORCSMN1; SMN2
SCHEMBL3398198 0.84 HTR2C (0.55) HTR2CALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL3402380 0.84 THRA (0.45) HTR2CALDH1A1HPGDSMN1; SMN2SCN10A
SCHEMBL3404145 0.83 ALDH1A1 (0.60) HTR2CALDH1A1HPGDSMN1; SMN2
SCHEMBL3402202 0.83 HTR2C (0.44) HTR2CALDH1A1RORCSMN1; SMN2CES2
SCHEMBL3398944 0.83 ALDH1A1 (0.45) HTR2CALDH1A1HPGDSCN9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed