SCHEMBL6163706

SCHEMBL6163706

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 16/20 0.58
CYP3A4 P08684 8/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PLD2 O14939 1/20 0.44
PLD1 Q13393 1/20 0.44
RAMP1 O60894 1/20 0.44
AVPR1A P37288 1/20 0.44

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
SCHEMBL8409743 0.93 CALCRL (0.67) CALCRLCYP3A4MEN1KMT2A
SCHEMBL6163107 0.89 CALCRL (0.64) CALCRLCYP3A4PLD2PLD1RAMP1
Hydrochloric Acid SCHEMBL6162625 0.89 CALCRL (0.63) CALCRLCYP3A4PLD2PLD1RAMP1
SCHEMBL6160869 0.87 CALCRL (0.58) CALCRLCYP3A4MEN1KMT2APLD2
SCHEMBL6160874 0.87 CALCRL (0.58) CALCRLCYP3A4MEN1KMT2APLD2
SCHEMBL6163303 0.85 CALCRL (0.58) CALCRLCYP3A4MEN1KMT2A
SCHEMBL6163308 0.85 CALCRL (0.58) CALCRLCYP3A4MEN1KMT2A
SCHEMBL6160376 0.85 CALCRL (0.66) CALCRLCYP3A4RAMP1
SCHEMBL6160383 0.85 CALCRL (0.66) CALCRLCYP3A4RAMP1
Hydrochloric Acid SCHEMBL6163548 0.85 CALCRL (0.57) CALCRLCYP3A4MEN1KMT2A

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 2 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 disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed