SCHEMBL6161667

SCHEMBL6161667

Cc1[nH]c2ccccc2c1CC(C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)N(CC(C)(C)N)C(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.46
CHRM1 P11229 3/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
CALCRL Q16602 7/20 0.44
CYP3A4 P08684 4/20 0.44
PLD1 Q13393 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL6163525 0.87 CALCRL (0.56) HSD11B1CHRM1CHRM2CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL6161659 0.80 CALCRL (0.56) HSD11B1CALCRLCYP3A4LMNAMAPK1
SCHEMBL6161834 0.79 CALCRL (0.56) HSD11B1CALCRLCYP3A4
SCHEMBL6161840 0.79 CALCRL (0.56) HSD11B1CALCRLCYP3A4
SCHEMBL6162588 0.72 CALCRL (0.51) HSD11B1CHRM1CHRM2CHRM4CHRM5
SCHEMBL6162595 0.72 CALCRL (0.51) HSD11B1CHRM1CHRM2CHRM4CHRM5
SCHEMBL3094933 0.70 HSD11B1 (0.64) HSD11B1CHRM1CHRM2CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL6163517 0.69 CALCRL (0.69) CALCRLCYP3A4LMNAMAPK1HTT
SCHEMBL6160220 0.68 CALCRL (0.77) CALCRLCYP3A4
SCHEMBL6160229 0.68 CALCRL (0.77) 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 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