SCHEMBL6166113

SCHEMBL6166113

CC(C)(N)C(=O)NC(CCCc1ccccc1)C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.52
F13A1 P00488 1/20 0.50
TGM2 P21980 1/20 0.50
TGM1 P22735 1/20 0.50
CCKBR P32239 1/20 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
SCHEMBL6166107 1.00 CCR1 (0.52) CCR1F13A1TGM2TGM1CCKBR
Hydrochloric Acid SCHEMBL6161307 0.99 CCR1 (0.51) CCR1F13A1TGM2TGM1CCKBR
Hydrochloric Acid SCHEMBL6161310 0.99 CCR1 (0.51) CCR1F13A1TGM2TGM1CCKBR
SCHEMBL6160841 0.94 CCR1 (0.53) CCR1F13A1TGM2TGM1CCKBR
SCHEMBL6160614 0.94 CCR1 (0.53) CCR1F13A1TGM2TGM1CCKBR
SCHEMBL6179686 0.84 F13A1 (0.49) CCR1F13A1TGM2TGM1CCKBR
SCHEMBL6162558 0.84 CCKBR (0.49) CCR1CCKBR
SCHEMBL6162563 0.84 CCKBR (0.49) CCR1CCKBR
Hydrochloric Acid SCHEMBL6161340 0.83 CCKBR (0.49) CCR1CCKBR
Hydrochloric Acid SCHEMBL6161333 0.83 CCKBR (0.49) CCR1CCKBR

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-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP claimed