SCHEMBL8933253

SCHEMBL8933253

O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)c1nnnn1CCc1ccccc1)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.45
CAPN1 P07384 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
GHSR Q92847 7/20 0.42
MC4R P32245 2/20 0.41
MC3R P41968 2/20 0.41
MC1R Q01726 2/20 0.41
CTSB P07858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6603699 0.89 TACR1 (0.44) TACR1ALDH1A1MEN1KMT2APOLB
SCHEMBL6600519 0.87 YAP1 (0.46) CAPN1ALDH1A1MEN1KMT2APOLB
SCHEMBL6600367 0.82 CTSS (0.56) TACR1ALDH1A1GHSRCTSB
SCHEMBL6600462 0.81 TACR1 (0.46) TACR1ALDH1A1MEN1KMT2APOLB
SCHEMBL14527606 0.79 PLG (0.51) CAPN1MC4RMC3RMC1RCTSB
SCHEMBL6600691 0.77 ZAP70 (0.46) CAPN1ALDH1A1MC4RMC3RMC1R
SCHEMBL14527547 0.77 CAPN1 (0.58) CAPN1MC4RMC3RMC1RCTSB
SCHEMBL7163035 0.76 CTSB (0.48) CAPN1MC4RMC3RMC1RCTSB
SCHEMBL29958699 0.76 CAPN1 (0.55) CAPN1MC4RMC3RMC1RCTSB
SCHEMBL6600601 0.76 GHSR (0.51) TACR1ALDH1A1MEN1KMT2APOLB

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-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 WO claimed