SCHEMBL7658770

SCHEMBL7658770

COc1cccc(C2=N/C(=C/N3CCNCC3)C(=O)O2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.54
DAPK3 O43293 1/20 0.53
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TNNI3 P19429 1/20 0.48
CRHBP P24387 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
CRHR2 Q13324 1/20 0.48
TP53 P04637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 2/20 0.44
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
HTR2B P41595 2/20 0.44

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
SCHEMBL7658774 1.00 NPC1 (0.60) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7662631 0.97 NPC1 (0.56) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7662637 0.97 NPC1 (0.56) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7663395 0.84 NPC1 (0.56) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7663402 0.84 NPC1 (0.56) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7672232 0.80 RAB9A (0.49) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7672237 0.80 RAB9A (0.49) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7669618 0.79 NPC1 (0.51) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7662571 0.79 FAAH (0.52) NPC1RAB9AHPGDSMN1; SMN2DAPK3
SCHEMBL7669612 0.79 NPC1 (0.51) 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