SCHEMBL9750210

SCHEMBL9750210

NC(O)C1Cc2ccccc2N1C(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CTRB1 P17538 1/20 0.44
P2RX4 Q99571 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
CYP2C19 P33261 1/20 0.43
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR2C P28335 1/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL9747326 0.88 NPC1 (0.48) NPC1RAB9AL3MBTL1CTRB1P2RX4
SCHEMBL9964898 0.88 NPC1 (0.48) NPC1RAB9AL3MBTL1CTRB1P2RX4
SCHEMBL8272822 0.86 NPC1 (0.51) NPC1RAB9AL3MBTL1P2RX4PTGDR2
SCHEMBL9092066 0.85 NPC1 (0.47) NPC1RAB9AL3MBTL1CTRB1P2RX4
SCHEMBL9964901 0.85 NPC1 (0.47) NPC1RAB9AL3MBTL1CTRB1P2RX4
SCHEMBL9235569 0.81 NPC1 (0.44) NPC1RAB9AL3MBTL1PTGDR2TMEM97
SCHEMBL9964900 0.81 NPC1 (0.44) NPC1RAB9AL3MBTL1PTGDR2TMEM97
SCHEMBL10646920 0.80 NPC1 (0.52) NPC1RAB9AL3MBTL1CTRB1P2RX4
SCHEMBL7475934 0.80 NPC1 (0.52) NPC1RAB9AL3MBTL1CTRB1P2RX4
SCHEMBL24582713 0.80 NPC1 (0.54) NPC1RAB9AL3MBTL1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500686-A1 TRICYCLIC 6,5,5]/ 6,6,5]-FUSED OXAZOLIDINONE ANTIBACTERIAL AGENTS. UPJOHN CO (US) 1992-09-02 EP disclosed
WO-1991007409-A1 TRICYCLIC [6,5,5]/[6,6,5]-FUSED OXAZOLIDINONE ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1991-05-30 WO disclosed