SCHEMBL7663395

SCHEMBL7663395

COc1cccc(C2=N/C(=C/N3CCN(C(=O)O)CC3)C(=O)O2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.56
RAB9A P51151 8/20 0.56
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
DAPK3 O43293 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TNNI3 P19429 1/20 0.51
CRHBP P24387 1/20 0.51
TNNT2 P45379 1/20 0.51
TNNC1 P63316 1/20 0.51
CRHR2 Q13324 1/20 0.51
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.46
TP53 P04637 2/20 0.46
NPSR1 Q6W5P4 4/20 0.45
KDM4E B2RXH2 2/20 0.45
ADRA1A P35348 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7663402 1.00 NPC1 (0.56) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7662571 0.88 FAAH (0.52) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7662567 0.88 FAAH (0.52) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7669612 0.86 NPC1 (0.51) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7669618 0.86 NPC1 (0.51) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7669622 0.86 ADRA1A (0.63) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7668853 0.85 LMNA (0.51) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7668858 0.85 LMNA (0.51) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7658770 0.84 NPC1 (0.60) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7658774 0.84 NPC1 (0.60) NPC1RAB9AHPGDSMN1; SMN2DAPK3

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
US-6355641-B1 HYPOTENSIVE AGENTS AND WOUND HEALING AGENTS SYNTEX (U.S.A.) LLC 2002-03-12 US disclosed
WO-2000055143-A1 OXAZOLONE DERIVATIVES AND THEIR USE AS ALPHA-1 ADRENORECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-09-21 WO disclosed