SCHEMBL11642004

SCHEMBL11642004

O=C(c1ccc(Cl)cc1)c1ccccc1OCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
TSHR P16473 3/20 0.53
HPGD P15428 3/20 0.53
NPC1 O15118 2/20 0.53
DRD2 P14416 1/20 0.51
DRD1 P21728 1/20 0.51
DRD3 P35462 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 1/20 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
SCHEMBL11642321 0.92 TSHR (0.51) RAB9ATSHRHPGDNPC1ALDH1A1
SCHEMBL30317447 0.90 DRD2 (0.62) RAB9ATSHRHPGDNPC1DRD2
SCHEMBL28985967 0.90 DRD2 (0.62) RAB9ATSHRHPGDNPC1DRD2
SCHEMBL11642913 0.89 RAB9A (0.50) RAB9ATSHRHPGDNPC1ALDH1A1
SCHEMBL11637624 0.87 SMN1; SMN2 (0.52) RAB9ATSHRHPGDNPC1DRD2
SCHEMBL11642826 0.87 RAB9A (0.50) RAB9ATSHRHPGDNPC1ALDH1A1
SCHEMBL11639938 0.84 MAPK1 (0.45) RAB9ATSHRHPGDNPC1ALDH1A1
SCHEMBL11643183 0.83 ALDH1A1 (0.52) RAB9ATSHRHPGDNPC1ALDH1A1
SCHEMBL11141708 0.82 DRD2 (0.56) RAB9ATSHRHPGDNPC1DRD2
SCHEMBL11641735 0.80 RAB9A (0.56) RAB9ATSHRHPGDNPC1DRD2

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-4125538-A ANALGESIC, ANTITUSSIVE BRISTOL-MYERS COMPANY (US) 1978-11-14 US disclosed