SCHEMBL8863308

SCHEMBL8863308

O=C1CCC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)N1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTR2C P28335 1/20 0.42
AGTR2 P50052 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRIN2B Q13224 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7273493 1.00 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL5806586 0.83 GPR119 (0.39) CYP2C19
SCHEMBL5806582 0.83 GPR119 (0.39) CYP2C19
SCHEMBL14879565 0.82 SMN1; SMN2 (0.50) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL2843333 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL2727664 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL27486429 0.77 SMN1; SMN2 (0.49) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL12128032 0.77 SMN1; SMN2 (0.49) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL598928 0.77 SMN1; SMN2 (0.45) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL598929 0.77 SMN1; SMN2 (0.45) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677466-A TESTING USING A AMIDINOPHENYL CONTAINING COMPOUND DR. KARL THOMAE, GMBH (DE) 1997-10-14 US disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed