SCHEMBL27411587

SCHEMBL27411587

O=C1c2ccccc2C(O)N1CC1CN(C(O)c2cccnc2)CCN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
CACNA1G O43497 1/20 0.34
IDO1 P14902 1/20 0.34
PKM P14618 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33

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
SCHEMBL27400620 0.73 SLC1A2 (0.44) OPRM1OPRD1OPRK1OPRL1MAPK1
SCHEMBL27411322 0.69 OPRM1 (0.42) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL27402733 0.67 CCR5 (0.42) ALDH1A1
SCHEMBL20718685 0.63 DHPS (0.44) ALDH1A1L3MBTL1TDP1MAPK1LMNA
SCHEMBL18826924 0.62 L3MBTL1 (0.57) ALDH1A1L3MBTL1LMNAHPGDPKM
SCHEMBL18472175 0.62 L3MBTL1 (0.57) ALDH1A1L3MBTL1LMNAHPGDPKM
SCHEMBL19046619 0.62 TDP1 (0.48) ALDH1A1L3MBTL1TDP1LMNAHPGD
SCHEMBL4466754 0.62 L3MBTL1 (0.56) ALDH1A1L3MBTL1LMNAHPGDPKM
SCHEMBL5693198 0.62 L3MBTL1 (0.56) ALDH1A1L3MBTL1LMNAHPGDPKM
SCHEMBL20777538 0.62 HPGD (0.52) ALDH1A1L3MBTL1LMNAHPGDPKM

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
WO-2024124287-A1 COMPOUNDS FOR TREATING VIRAL INFECTION THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2024-06-20 WO disclosed