Sugi Predict

Sugi Predict / Compounds / SCHEMBL10378303

SCHEMBL10378303

SCHEMBL10378303

CCCC(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)CN1CCCC1C(=O)NC([C]=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 4/20 0.41
▸ NMUR2 Q9GZQ4 6/20 0.40
▸ NMUR1 Q9HB89 5/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ KISS1R Q969F8 1/20 0.39
▸ F2 P00734 4/20 0.38
▸ OPRD1 P41143 1/20 0.38

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
SCHEMBL7326543 0.93 NMUR2 (0.41) HRH1NMUR2NMUR1ADORA3ADORA2A
SCHEMBL10378306 0.91 ADORA3 (0.41) HRH1NMUR2NMUR1ADORA3ADORA2A
SCHEMBL10376958 0.81 F2 (0.43) ADORA3ADORA2AADORA2BADORA1F2
SCHEMBL7320110 0.77 CTSD (0.50) NMUR2NMUR1ADORA3ADORA2AADORA2B
SCHEMBL10377187 0.75 NMUR2 (0.50) NMUR2NMUR1OPRD1
SCHEMBL7329810 0.75 CTRB1 (0.43) F2
SCHEMBL7331125 0.75 CTSD (0.43) NMUR2NMUR1KISS1RF2
SCHEMBL10376833 0.75 NMUR2 (0.51) NMUR2NMUR1KISS1RF2OPRD1
SCHEMBL7325544 0.70 BACE1 (0.51) —
SCHEMBL7328124 0.68 BACE1 (0.51) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO disclosed