SCHEMBL9705417

SCHEMBL9705417

O=C1CCCC(c2ccc(F)cc2)CN1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.42
ESR2 Q92731 1/20 0.40
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
GSK3B P49841 1/20 0.36
BACE1 P56817 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
SLC6A9 P48067 4/20 0.36
OPRM1 P35372 3/20 0.36
SLC6A5 Q9Y345 3/20 0.36
LIG1 P18858 1/20 0.36

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
SCHEMBL15624284 0.83 ESR2 (0.60) ESR2
SCHEMBL1198558 0.82 DDB1 (0.43) ESR2DDB1CRBNPKM
SCHEMBL1269697 0.80 TSHR (0.57) PKMTSHRPDE4APDE4BPDE4C
SCHEMBL18980759 0.75 ESR2 (0.50) ESR2LMNATSHRTDP1PDE4A
SCHEMBL715319 0.75 ESR2 (0.50) ESR2LMNATSHRTDP1PDE4A
SCHEMBL20036513 0.75 PKM (0.38) TACR1ESR2DDB1CRBNPKM
SCHEMBL20746237 0.74 CRBN (0.51) ESR2DDB1CRBNPKMTSHR
SCHEMBL22660215 0.74 TDP1 (0.43) DDB1CRBNLMNATSHRTDP1
SCHEMBL15778955 0.74 PKM (0.40) ESR2DDB1CRBNPKMLMNA
SCHEMBL7235582 0.74 PKM (0.40) ESR2DDB1CRBNPKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220865-B1 LACTAM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HYPOTENSIVE AGENTS SANKYO COMPANY LIMITED (JP) 1992-07-29 EP disclosed
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO disclosed
US-4734410-A Lactam derivatives and their use as hypotensive agents SANKYO COMPANY LIMITED (JP) 1988-03-29 US disclosed
EP-0220865-A2 Lactam derivatives, their preparation and their use as hypotensive agents SANKYO COMPANY LIMITED (JP) 1987-05-06 EP disclosed