SCHEMBL10305165

SCHEMBL10305165

CCCCCC(=O)N[C@H](Cc1ccncc1)C(=O)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 4/20 0.51
▸ HRH1 P35367 4/20 0.51
▸ ACE P12821 3/20 0.47
▸ ACE2 Q9BYF1 3/20 0.47
▸ HPGD P15428 1/20 0.46
▸ MC4R P32245 1/20 0.46
▸ FAAH O00519 2/20 0.45
▸ PSMB5 P28074 2/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ FPR2 P25090 1/20 0.43

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
SCHEMBL10305158 0.84 HRH2 (0.46) HRH2HRH1HPGDFPR2
SCHEMBL10725320 0.82 FAAH (0.67) ACEACE2MC4RFAAHPSMB5
SCHEMBL10725327 0.82 FAAH (0.67) ACEACE2MC4RFAAHPSMB5
SCHEMBL4205338 0.80 FPR2 (0.52) FPR2
SCHEMBL4214360 0.80 FPR2 (0.52) FPR2
SCHEMBL5552607 0.80 FPR2 (0.52) FPR2
SCHEMBL1644393 0.80 MC4R (0.58) MC4RPSMB5FPR2
Hydrochloric Acid SCHEMBL4725522 0.79 FPR2 (0.51) FPR2
SCHEMBL1644278 0.79 MC4R (0.59) HPGDMC4RPSMB5FPR2
SCHEMBL14311686 0.79 UGCG (0.51) HPGDMC4RFAAH

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
EP-2474534-A1 3-Aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic and/or immunostimulant activity Allergan, Inc. (US) 2012-07-11 — — EP disclosed
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