SCHEMBL21765892

SCHEMBL21765892

CCC(=O)NC1CCC(NC)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
PDPK1 O15530 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 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
SCHEMBL21765891 0.93 MTNR1A (0.51) MTNR1AMTNR1BALDH1A1MEN1CYP1A2
SCHEMBL26779718 0.79 ALDH1A1 (0.61) MTNR1AMTNR1BPDPK1ALDH1A1MEN1
SCHEMBL17335683 0.79 ALDH1A1 (0.61) MTNR1AMTNR1BPDPK1ALDH1A1MEN1
SCHEMBL7445856 0.79 ALDH1A1 (0.61) MTNR1AMTNR1BPDPK1ALDH1A1MEN1
SCHEMBL13223487 0.79 SLC6A2 (0.47) PDPK1
SCHEMBL20990440 0.77 ALDH1A1 (0.74) ALDH1A1MEN1TSHRKMT2A
SCHEMBL659023 0.77 ALDH1A1 (0.74) ALDH1A1MEN1TSHRKMT2A
SCHEMBL21765671 0.76 ALDH1A1 (0.49) ALDH1A1TSHR
SCHEMBL7683535 0.76 BDKRB1 (0.50) MTNR1AMTNR1BALDH1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL7797522 0.76 ALDH1A1 (0.72) ALDH1A1MEN1TSHRKMT2A

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
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed