SCHEMBL3405482

SCHEMBL3405482

CCOc1ccccc1-c1nc(C)c(C(=O)N2CCC(N(CC)CC)C2)s1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.52
JAK1 P23458 1/20 0.43
POLR1A O95602 1/20 0.41
CES2 O00748 1/20 0.41
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.39
KDM1A O60341 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
SCHEMBL3401863 0.94 HTR2C (0.56) HTR2CCES2CNR1LMNA
SCHEMBL3405158 0.89 HTR2C (0.50) HTR2CJAK1POLR1ACNR1
SCHEMBL3399761 0.88 HTR2C (0.53) HTR2CJAK1POLR1ACES2CNR1
SCHEMBL3404740 0.87 HTR2C (0.52) HTR2CJAK1POLR1ACES2CNR1
SCHEMBL3405397 0.86 HTR2C (0.50) HTR2CJAK1POLR1ACES2CNR1
SCHEMBL3402535 0.86 HTR2C (0.52) HTR2CJAK1POLR1ACES2CNR1
SCHEMBL3405059 0.86 HTR2C (0.56) HTR2CCES2CNR1LMNA
SCHEMBL3405032 0.85 HTR2C (0.69) HTR2CPOLR1ACES2
SCHEMBL3404419 0.85 HTR2C (0.51) HTR2CJAK1POLR1ACES2CNR1
SCHEMBL3402532 0.84 HTR2C (0.52) HTR2CJAK1POLR1ACES2CNR1

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 3 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