SCHEMBL7987244

SCHEMBL7987244

O=C(NC1CC1c1ccccc1)OCCCc1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NAAA Q02083 3/20 0.43
TLR2 O60603 3/20 0.41
TLR1 Q15399 3/20 0.41
KDM1A O60341 10/20 0.40
HDAC6 Q9UBN7 1/20 0.39
EPHX2 P34913 1/20 0.39
MAOB P27338 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL4384276 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1NAAATLR2TLR1
SCHEMBL8398650 0.82 NAAA (0.47) SMN1; SMN2NAAA
SCHEMBL8397460 0.82 NAAA (0.47) SMN1; SMN2NAAA
SCHEMBL7961372 0.77 NPC1 (0.62) SMN1; SMN2NPSR1
SCHEMBL7977532 0.76 SMN1; SMN2 (0.44) SMN1; SMN2NPSR1NAAAHRH3
SCHEMBL7977480 0.75 EPHX1 (0.51) NAAAHRH3
SCHEMBL7974350 0.75 NPC1 (0.46) SMN1; SMN2HRH3
SCHEMBL7977081 0.74 HRH3 (0.49) SMN1; SMN2HDAC6HRH3
SCHEMBL4376053 0.74 HRH3 (0.49) SMN1; SMN2HRH3
SCHEMBL4376634 0.73 NPC1 (0.47) SMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed