SCHEMBL9445969

SCHEMBL9445969

CCC(CC)(c1cccc(CCN)c1)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.51
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
PGK1 P00558 2/20 0.43
PGK2 P07205 2/20 0.43
ACP3 P15309 1/20 0.41
NOS1 P29475 1/20 0.41
KIF11 P52732 3/20 0.41
ACHE P22303 3/20 0.40
BACE1 P56817 1/20 0.40
HTR6 P50406 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL3390400 0.82 PGK1 (0.52) PGK1PGK2ACP3ACHE
SCHEMBL9445936 0.82 PGK1 (0.45) PGK1PGK2ACP3
SCHEMBL2031911 0.78 TSHR (0.43) PGK1PGK2
SCHEMBL9445996 0.78 PGK1 (0.42) DRD2PGK1PGK2ACP3
SCHEMBL27887459 0.75 PGK1 (0.41) PGK1PGK2ACP3ACHE
SCHEMBL29024551 0.75 PGK1 (0.53) PGK1PGK2ACP3
SCHEMBL1362338 0.75 MEN1 (0.41) PGK1PGK2
SCHEMBL1338013 0.75 PGK1 (0.44) PGK1PGK2ACP3KIF11
SCHEMBL24351980 0.74 TAAR1 (0.61) TAAR1DRD2DRD1NOS1KIF11
SCHEMBL1556937 0.73 PTPN1 (0.52) PGK1PGK2KIF11

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-5179085-A Cerebrovascular disorders WARNER-LAMBERT COMPANY (US) 1993-01-12 US disclosed