SCHEMBL6949090

SCHEMBL6949090

NN=CNCC(CC(=O)NCC(=O)NC(Cc1cccnc1)C(=O)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
GPR132 Q9UNW8 7/20 0.41
CMKLR2 P46091 1/20 0.41
CMKLR1 Q99788 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MCL1 Q07820 1/20 0.40
EPHX2 P34913 1/20 0.39
FOLH1 Q04609 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
ECE1 P42892 1/20 0.38
MMP12 P39900 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL6950532 0.90 L3MBTL1 (0.41) LMNAHPGDHTTSMN1; SMN2L3MBTL1
SCHEMBL6948963 0.84 ITGB3 (0.46) LMNAHPGDHTTSMN1; SMN2L3MBTL1
SCHEMBL6358943 0.81 FOLH1 (0.48) GPR132CMKLR2CMKLR1EPHX2FOLH1
SCHEMBL6954777 0.81 FOLH1 (0.47) GPR132CMKLR2CMKLR1EPHX2FOLH1
SCHEMBL29538593 0.77 GPR132 (0.50) LMNAHPGDHTTSMN1; SMN2GPR132
SCHEMBL7832742 0.74 GPR132 (0.45) GPR132CMKLR2CMKLR1ALDH1A1FOLH1
SCHEMBL6776672 0.74 GPR132 (0.52) GPR132CMKLR2CMKLR1FOLH1
SCHEMBL6778695 0.74 GPR132 (0.43) LMNAHPGDHTTSMN1; SMN2GPR132
SCHEMBL31016499 0.74 OPRD1 (0.45) LMNAHPGDHTTSMN1; SMN2ALDH1A1
SCHEMBL6778944 0.73 GPR132 (0.44) GPR132CMKLR2CMKLR1FOLH1CTSV

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
US-5639765-A OSTEOPOROSIS, PAGET*S DISEASE G. D. SEARLE & CO. (US) 1997-06-17 US claimed
EP-0804418-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-03-26 EP disclosed
US-5639765-A OSTEOPOROSIS, PAGET*S DISEASE G. D. SEARLE & CO. (US) 1997-06-17 US disclosed