SCHEMBL6163768

SCHEMBL6163768

Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.40
CCR1 P32246 5/20 0.40
MCL1 Q07820 1/20 0.39
PABPC1 P11940 1/20 0.39
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6163772 1.00 KMT2A (0.43) KMT2AMEN1MAPK1CCR1MCL1
SCHEMBL6161237 0.86 CCR1 (0.44) KMT2AMEN1CCR1
SCHEMBL6161242 0.86 CCR1 (0.44) KMT2AMEN1CCR1
Hydrochloric Acid SCHEMBL6159712 0.85 CCR1 (0.43) KMT2AMEN1CCR1
Hydrochloric Acid SCHEMBL6163321 0.85 CCR1 (0.43) KMT2AMEN1CCR1
SCHEMBL6162595 0.85 CALCRL (0.51)
SCHEMBL6162588 0.85 CALCRL (0.51)
SCHEMBL6160719 0.83 ACE (0.46) KMT2AMEN1SMN1; SMN2
SCHEMBL6160724 0.83 ACE (0.46) KMT2AMEN1SMN1; SMN2
SCHEMBL6162859 0.82 CTSS (0.49) KMT2AMEN1MAPK1CCR1PABPC1

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