SCHEMBL6163334

SCHEMBL6163334

CC(C)(C)OC(=O)N1CCC(C(=O)NC(Cc2ccc3ccccc3c2)C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 15/20 0.67
CYP3A4 P08684 8/20 0.67
RAMP1 O60894 1/20 0.51
CCR5 P51681 2/20 0.49
MAPK1 P28482 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL6163332 1.00 CALCRL (0.67) CALCRLCYP3A4RAMP1CCR5MAPK1
SCHEMBL6167546 0.90 CALCRL (0.72) CALCRLCYP3A4RAMP1
SCHEMBL6162399 0.87 CALCRL (0.67) CALCRLCYP3A4CCR5CHRM2CHRM4
SCHEMBL6162394 0.87 CALCRL (0.67) CALCRLCYP3A4CCR5CHRM2CHRM4
SCHEMBL6163907 0.87 CALCRL (0.49) CALCRLCYP3A4MAPK1
SCHEMBL6161461 0.86 CALCRL (0.66) CALCRLCYP3A4RAMP1
SCHEMBL6161465 0.86 CALCRL (0.66) CALCRLCYP3A4RAMP1
SCHEMBL6164050 0.85 CALCRL (0.75) CALCRLCYP3A4RAMP1
Hydrochloric Acid SCHEMBL6160957 0.84 CALCRL (0.74) CALCRLCYP3A4RAMP1
Hydrochloric Acid SCHEMBL6160964 0.84 CALCRL (0.74) CALCRLCYP3A4RAMP1

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 disclosed