SCHEMBL7386038

SCHEMBL7386038

CCOC(=O)C(Cc1cccnc1)NC(=O)NCCCCc1ccc(C=NN)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
PTAFR P25105 6/20 0.41
FOLH1 Q04609 1/20 0.41
FES P07332 1/20 0.40
RET P07949 1/20 0.40
MARK3 P27448 1/20 0.40
TYK2 P29597 1/20 0.40
FLT4 P35916 1/20 0.40
SYK P43405 1/20 0.40
CLK2 P49760 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
NLRP3 Q96P20 1/20 0.40
POLB P06746 1/20 0.40
NAMPT P43490 2/20 0.40
PLG P00747 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
FAAH O00519 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
SCHEMBL9389734 0.95 KMT2A (0.45) TSHRPTAFRFOLH1POLBNAMPT
SCHEMBL9389954 0.90 TSHR (0.40) TSHRPTAFRFOLH1POLBNAMPT
SCHEMBL7385708 0.89 TSHR (0.53) TSHRPOLB
SCHEMBL9293684 0.88 TSHR (0.41) TSHRPTAFRPOLBNAMPT
SCHEMBL7380058 0.88 CTSG (0.40) NLRP3TRPV1
SCHEMBL7393082 0.85 FLT4 (0.46) TSHRPTAFRFOLH1FESRET
SCHEMBL7389409 0.82 KMT2A (0.47) NLRP3POLBNAMPT
SCHEMBL9394066 0.82 OPRK1 (0.40) TSHRNLRP3POLB
SCHEMBL7401603 0.82 FLT4 (0.50) TSHRFOLH1FESRETMARK3
SCHEMBL9394451 0.80 KMT2A (0.48) NLRP3POLBNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5344837-A Platelet aggregation inhibitors G.D. SEARLE & CO. (US) 1994-09-06 US claimed
WO-1994001396-A1 PHENYL AMIDINE UREA DERIVATIVES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-20 WO claimed
US-5272162-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-12-21 US claimed
US-5344837-A Platelet aggregation inhibitors G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
WO-1994001396-A1 PHENYL AMIDINE UREA DERIVATIVES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-20 WO disclosed
US-5272162-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-12-21 US disclosed