SCHEMBL6949829

SCHEMBL6949829

CCOC(=O)C(Cc1cccnc1)NC(=O)CNC(=O)CCCNC=NN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.41
MAPT P10636 1/20 0.40
NLRP3 Q96P20 1/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
TLR2 O60603 1/20 0.38
PLG P00747 1/20 0.37
KMT2A Q03164 1/20 0.37
PTAFR P25105 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC4 P56524 2/20 0.36
FOLH1 Q04609 1/20 0.36
EP300 Q09472 1/20 0.36
MEF2D Q14814 1/20 0.36
HDAC3 O15379 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
SCHEMBL6952538 0.97 FAAH (0.44) FAAHMAPTNLRP3CYP3A4TP53
SCHEMBL6953443 0.90 NLRP3 (0.45) FAAHMAPTNLRP3CYP3A4PTAFR
SCHEMBL6358943 0.85 FOLH1 (0.48) FAAHMAPTCYP3A4PTAFRFOLH1
SCHEMBL6954777 0.85 FOLH1 (0.47) FAAHMAPTCYP3A4PTAFRFOLH1
SCHEMBL7393082 0.85 FLT4 (0.46) FAAHNLRP3CYP3A4LMNATSHR
SCHEMBL6950532 0.83 L3MBTL1 (0.41) NLRP3CYP3A4TP53LMNAKMT2A
SCHEMBL8496788 0.80 CYP3A4 (0.64) FAAHMAPTCYP3A4MAPK1PTAFR
SCHEMBL7835677 0.79 GPR132 (0.42) MAPTTP53ALDH1A1
SCHEMBL7825812 0.78 TP53 (0.39) MAPTNLRP3TP53NPC1LMNA
SCHEMBL9394451 0.78 KMT2A (0.48) NLRP3KMT2APOLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804418-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-03-26 EP claimed
US-5639765-A OSTEOPOROSIS, PAGET*S DISEASE G. D. SEARLE & CO. (US) 1997-06-17 US claimed
US-5602155-A GUANIDINO ALKYL AND PYRIDINE CARBOXYLATE SUBSTITUTED AMIDES G. D. SEARLE & CO. (US) 1997-02-11 US claimed
WO-1996023771-A2 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-08-08 WO 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
US-5602155-A GUANIDINO ALKYL AND PYRIDINE CARBOXYLATE SUBSTITUTED AMIDES G. D. SEARLE & CO. (US) 1997-02-11 US disclosed
WO-1996023771-A2 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-08-08 WO disclosed