SCHEMBL7518839

SCHEMBL7518839

NCCN(CCN)CC(N)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.47
▸ HTR7 P34969 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SLC1A3 P43003 2/20 0.32
▸ SLC1A2 P43004 2/20 0.32
▸ SLC1A1 P43005 2/20 0.32
▸ SLC1A5 Q15758 2/20 0.31

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
Bromide SCHEMBL15671137 0.84 PNMT (0.54) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL8190225 0.82 PNMT (0.50) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL4970480 0.81 PNMT (0.49) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL9188893 0.81 PNMT (0.49) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL3484494 0.81 PNMT (0.49) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL6810950 0.81 PNMT (0.49) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL9188888 0.81 PNMT (0.49) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL6807832 0.80 PNMT (0.48) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL6807840 0.80 PNMT (0.48) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL7037299 0.79 PNMT (0.52) PNMTHTR7HTR2BNPC1RAB9A

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
EP-1176985-A2 ENZYMATICALLY ACTIVATED POLYMERIC DRUG CONJUGATES Vectramed, Inc. (US) 2002-02-06 — — EP disclosed
WO-2000064486-A2 ENZYMATICALLY ACTIVATED POLYMERIC DRUG CONJUGATES VECTRAMED, INC. (US) 2000-11-02 — — WO disclosed
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