SCHEMBL8912293

SCHEMBL8912293

COC(=O)CCNC(=O)C1(N2CCCCC2=O)CC[N]CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
EPHX2 P34913 1/20 0.33
HRH3 Q9Y5N1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8300377 0.86 FPR3 (0.35) FPR3FPR2ADORA2AADORA2BADORA1
SCHEMBL6158568 0.80 HSD11B1 (0.37)
SCHEMBL6160221 0.79 KMT2A (0.33)
SCHEMBL8912155 0.78 TSHR (0.34)
SCHEMBL8292252 0.76 HTT (0.46)
SCHEMBL6159601 0.74 ALDH1A1 (0.36)
SCHEMBL8913129 0.74 INMT (0.33) MAPT
SCHEMBL6160923 0.72 MAPT (0.32) MAPT
SCHEMBL8300348 0.71 TACR2 (0.47)
SCHEMBL8300720 0.69 HTT (0.35)

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-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed