SCHEMBL3400495

SCHEMBL3400495

Cc1cc(F)ccc1-c1nc(C)c(C(=O)N2CCN(C3CCCC3)CC2)s1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.45
NAMPT P43490 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.42
CNR1 P21554 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL3401252 0.92 HTR2C (0.46) HTR2CALDH1A1HPGDHTTLMNA
SCHEMBL3402597 0.92 HTR2C (0.46) HTR2CALDH1A1HPGDHTTLMNA
SCHEMBL3396951 0.91 L3MBTL1 (0.50) HTR2CALDH1A1LMNAKMT2AMEN1
SCHEMBL3405439 0.90 HTR2C (0.46) HTR2CALDH1A1HPGDHTTLMNA
SCHEMBL3401632 0.88 HTR2C (0.46) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3401305 0.87 KMT2A (0.48) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3405124 0.87 NPC1 (0.45) HTR2CALDH1A1HPGDHTTRAB9A
SCHEMBL3399351 0.86 HTR2C (0.49) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3405297 0.86 HTR2C (0.43) HTR2CALDH1A1HPGDHTTLMNA
SCHEMBL3401271 0.86 PKM (0.49) HTR2CALDH1A1HPGDLMNASMN1; 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