SCHEMBL8913129

SCHEMBL8913129

O=C1CCCCN1C1(C(=O)O)CC[N]CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
INMT O95050 2/20 0.33
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 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
SCHEMBL6160221 0.83 KMT2A (0.33) KMT2AALDH1A1
SCHEMBL6160923 0.82 MAPT (0.32) INMTMAPT
SCHEMBL6158568 0.82 HSD11B1 (0.37)
SCHEMBL6159601 0.82 ALDH1A1 (0.36) KMT2AALDH1A1
SCHEMBL8913135 0.81 KMT2A (0.31) KMT2ATSHRBLM
SCHEMBL8912155 0.81 TSHR (0.34) TSHR
SCHEMBL27661365 0.80 TSHR (0.38) KMT2AALDH1A1MAPTTSHRBLM
SCHEMBL25195440 0.78 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL6160033 0.75 ALDH1A1 (0.34) ALDH1A1MAPTHSD17B10
SCHEMBL8912293 0.74 FPR3 (0.35) MAPT

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