SCHEMBL6163525

SCHEMBL6163525

CC(C)(N)CN(C(=O)C(F)(F)F)C(Cc1cccc2ccccc12)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 9/20 0.56
CYP3A4 P08684 5/20 0.56
HSD11B1 P28845 6/20 0.46
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
PLD1 Q13393 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
CHRM1 P11229 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL6161667 0.87 HSD11B1 (0.46) CALCRLCYP3A4HSD11B1LMNAMAPK1
Trifluoroacetic Acid SCHEMBL6163517 0.80 CALCRL (0.69) CALCRLCYP3A4LMNAMAPK1HTT
SCHEMBL6164327 0.79 CALCRL (0.75) CALCRLCYP3A4HSD11B1
Hydrochloric Acid SCHEMBL6161080 0.79 CALCRL (0.67) CALCRLCYP3A4HSD11B1MAPK1PLD1
SCHEMBL6162399 0.73 CALCRL (0.67) CALCRLCYP3A4CHRM1CHRM2CHRM4
SCHEMBL6162394 0.73 CALCRL (0.67) CALCRLCYP3A4CHRM1CHRM2CHRM4
SCHEMBL6160376 0.72 CALCRL (0.66) CALCRLCYP3A4HSD11B1
SCHEMBL6160383 0.72 CALCRL (0.66) CALCRLCYP3A4HSD11B1
Hydrochloric Acid SCHEMBL6169242 0.70 CALCRL (0.70) CALCRLCYP3A4HSD11B1
SCHEMBL6160220 0.69 CALCRL (0.77) CALCRLCYP3A4DRD2DRD4DRD3

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 3 patents. 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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed