SCHEMBL3405829

SCHEMBL3405829

Cc1ccccc1-c1nc(C)c(C(=O)N2CCN(C3CCCC3)CC2)s1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 8/20 0.57
▸ ALDH1A1 P00352 2/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ CES2 O00748 1/20 0.44

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
SCHEMBL3400254 0.92 HTR2C (0.55) HTR2CALDH1A1CNR1HPGDSMN1; SMN2
SCHEMBL3400300 0.90 HTR2C (0.56) HTR2CALDH1A1CNR1HPGDSMN1; SMN2
SCHEMBL13071662 0.90 HTR2C (0.62) HTR2CCNR1LMNAL3MBTL1HRH3
SCHEMBL3399560 0.90 HTR2C (0.62) HTR2CCNR1LMNAL3MBTL1HRH3
SCHEMBL3398198 0.89 HTR2C (0.55) HTR2CALDH1A1CNR1HPGDSMN1; SMN2
SCHEMBL3401746 0.89 HTR2C (0.75) HTR2CALDH1A1CNR1HPGDSMN1; SMN2
SCHEMBL13309952 0.89 HTR2C (0.60) HTR2CALDH1A1CNR1HPGDSMN1; SMN2
SCHEMBL3398178 0.89 HTR2C (0.54) HTR2CALDH1A1CNR1HPGDSMN1; SMN2
SCHEMBL3405777 0.88 HTR2C (0.50) HTR2CALDH1A1CNR1HPGDSMN1; SMN2
SCHEMBL3400125 0.88 HTR2C (0.56) HTR2CALDH1A1CNR1HPGDSMN1; 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
Send feedback