SCHEMBL3399351

SCHEMBL3399351

Cc1cc(C)c(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.49
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.42
CNR1 P21554 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
L3MBTL3 Q96JM7 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL3403634 0.90 HTR2C (0.52) HTR2CLMNATHRATHRBL3MBTL3
SCHEMBL3404219 0.90 HTR2C (0.52) HTR2CLMNATHRATHRBL3MBTL3
SCHEMBL3402305 0.88 HTR2C (0.48) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3400495 0.86 HTR2C (0.46) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3401632 0.86 HTR2C (0.46) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3401252 0.86 HTR2C (0.46) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3405829 0.86 HTR2C (0.57) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3401305 0.86 KMT2A (0.48) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3404822 0.85 THRA (0.50) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3401271 0.85 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 5 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
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed