Sugi Predict

Sugi Predict / Compounds / SCHEMBL6602703

SCHEMBL6602703

SCHEMBL6602703

CN(C)c1nc(NCC2CCCCC2CNC(=O)OC(C)(C)C)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 9/20 0.51
▸ NPY5R Q15761 9/20 0.51
▸ MCHR1 Q99705 9/20 0.48
▸ ACACB O00763 10/20 0.48
▸ ACACA Q13085 8/20 0.48

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
SCHEMBL6619370 0.89 ADRA2A (0.49) ADRA2ANPY5RMCHR1ACACBACACA
SCHEMBL6603635 0.89 ACACB (0.53) ADRA2ANPY5RMCHR1ACACBACACA
SCHEMBL3936931 0.89 ADRA2A (0.63) ADRA2ANPY5RMCHR1ACACBACACA
SCHEMBL3940127 0.89 ADRA2A (0.63) ADRA2ANPY5RMCHR1ACACBACACA
SCHEMBL3936927 0.89 ADRA2A (0.63) ADRA2ANPY5RMCHR1ACACBACACA
SCHEMBL3943120 0.81 MCHR1 (0.61) ADRA2ANPY5RMCHR1ACACBACACA
SCHEMBL3939394 0.81 ADRA2A (0.61) ADRA2ANPY5RMCHR1
SCHEMBL3939397 0.81 ADRA2A (0.61) ADRA2ANPY5RMCHR1
SCHEMBL3943125 0.81 MCHR1 (0.61) ADRA2ANPY5RMCHR1ACACBACACA
SCHEMBL3947626 0.81 CTNNB1 (0.48) ADRA2ANPY5RMCHR1ACACBACACA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 — — EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 — — WO disclosed