SCHEMBL3402272

SCHEMBL3402272

COCCn1c(C(=O)N2CCN(C3CCC3)CC2)cnc1-c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.43
HTR2A P28223 1/20 0.42
USP2 O75604 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACACB O00763 3/20 0.39
ACACA Q13085 3/20 0.39
HRH3 Q9Y5N1 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HIF1A Q16665 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
SCHEMBL3405421 0.98 HTR2C (0.43) HTR2CHTR2AUSP2MEN1KMT2A
SCHEMBL3402312 0.89 HTR2C (0.43) HTR2CHTR2AUSP2MEN1KMT2A
SCHEMBL3403662 0.87 ACACB (0.44) HTR2CHTR2AUSP2MEN1KMT2A
SCHEMBL3399637 0.86 HTR2C (0.48) HTR2CHTR2AUSP2MEN1KMT2A
SCHEMBL3403025 0.84 USP2 (0.49) HTR2CHTR2AUSP2MEN1KMT2A
SCHEMBL3401099 0.76 GAA (0.43) HTR2CHTR2AUSP2MEN1KMT2A
SCHEMBL3402695 0.75 HTR2C (0.56) HTR2CHTR2AMEN1KMT2ALMNA
SCHEMBL3401202 0.75 HTR2C (0.56) HTR2CHTR2AMEN1KMT2ALMNA
SCHEMBL3405696 0.75 HTR2C (0.59) HTR2CHTR2AMEN1KMT2ALMNA
SCHEMBL3401043 0.75 HTR2C (0.56) HTR2CUSP2MEN1KMT2ALMNA

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