SCHEMBL3402597

SCHEMBL3402597

Cc1nc(-c2ccc(F)cc2F)sc1C(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ACKR3 P25106 7/20 0.46
HTT P42858 1/20 0.45
KCNH2 Q12809 3/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3405439 0.94 HTR2C (0.46) HTR2CALDH1A1HPGDHTTPOLB
SCHEMBL3400495 0.92 HTR2C (0.46) HTR2CALDH1A1HPGDHTTPOLB
SCHEMBL3402611 0.92 HTR2C (0.46) HTR2CALDH1A1HPGDHTTPOLB
SCHEMBL3400491 0.91 L3MBTL1 (0.50) HTR2CALDH1A1ACKR3KCNH2LMNA
SCHEMBL3403297 0.91 L3MBTL1 (0.50) HTR2CALDH1A1ACKR3KCNH2LMNA
SCHEMBL3401252 0.90 HTR2C (0.46) HTR2CALDH1A1HPGDHTTPOLB
SCHEMBL3400300 0.89 HTR2C (0.56) HTR2CALDH1A1HPGDACKR3HTT
SCHEMBL3404973 0.88 HTR2C (0.46) HTR2CALDH1A1HPGDHTTPOLB
SCHEMBL3405124 0.87 NPC1 (0.45) HTR2CALDH1A1HPGDHTT
SCHEMBL3400395 0.85 CNR1 (0.52) HTR2CALDH1A1HPGDHTTKCNH2

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