SCHEMBL6164023

SCHEMBL6164023

CC(C)(N)C(=O)NC(Cc1c[nH]c2ccc(F)cc12)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 18/20 0.64
CYP3A4 P08684 9/20 0.53
RAMP1 O60894 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
PLD2 O14939 1/20 0.48
PLD1 Q13393 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
Hydrochloric Acid SCHEMBL6161566 0.99 CALCRL (0.63) CALCRLCYP3A4RAMP1DRD2DRD4
SCHEMBL6163107 0.94 CALCRL (0.64) CALCRLCYP3A4RAMP1PLD2PLD1
Hydrochloric Acid SCHEMBL6162625 0.94 CALCRL (0.63) CALCRLCYP3A4RAMP1PLD2PLD1
SCHEMBL6163598 0.92 CALCRL (0.75) CALCRLCYP3A4RAMP1
SCHEMBL6163599 0.92 CALCRL (0.75) CALCRLCYP3A4RAMP1
SCHEMBL6159881 0.86 CALCRL (0.64) CALCRLCYP3A4DRD2DRD4DRD3
SCHEMBL6159873 0.86 CALCRL (0.64) CALCRLCYP3A4DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL6161092 0.84 CALCRL (0.63) CALCRLCYP3A4
Hydrochloric Acid SCHEMBL6161084 0.84 CALCRL (0.63) CALCRLCYP3A4
SCHEMBL6163706 0.84 CALCRL (0.58) CALCRLCYP3A4RAMP1PLD2PLD1

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