SCHEMBL6160220

SCHEMBL6160220

CC(C)(N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.77
CYP3A4 P08684 9/20 0.77
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
DRD3 P35462 1/20 0.58

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
SCHEMBL6160229 1.00 CALCRL (0.77) CALCRLCYP3A4DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL6160834 0.99 CALCRL (0.76) CALCRLCYP3A4DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL6160840 0.99 CALCRL (0.76) CALCRLCYP3A4DRD2DRD4DRD3
SCHEMBL6165527 0.89 CALCRL (0.68) CALCRLCYP3A4DRD2DRD4DRD3
SCHEMBL6165522 0.89 CALCRL (0.68) CALCRLCYP3A4DRD2DRD4DRD3
SCHEMBL6163598 0.88 CALCRL (0.75) CALCRLCYP3A4
SCHEMBL6164327 0.88 CALCRL (0.75) CALCRLCYP3A4
SCHEMBL6163599 0.88 CALCRL (0.75) CALCRLCYP3A4
SCHEMBL6166567 0.87 CALCRL (0.77) CALCRLCYP3A4
Hydrochloric Acid SCHEMBL6162320 0.86 CALCRL (0.76) CALCRLCYP3A4

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