SCHEMBL8919562

SCHEMBL8919562

O=C(N1CCCC1)C1(c2ccccc2)CC[N]CC1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.79
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
TSHR P16473 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.58
AKR1C1 Q04828 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
HDAC4 P56524 1/20 0.45

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
SCHEMBL8331178 0.98 HSD11B1 (0.79) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL3129900 0.89 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL8327261 0.87 SMN1; SMN2 (0.74) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL6896465 0.85 MEN1 (1.00) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL16507207 0.85 MEN1 (0.93) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL14289421 0.81 HSD11B1 (0.79) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4630666 0.81 HSD11B1 (0.79) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL6543280 0.80 HSD11B1 (0.79) HSD11B1MEN1KMT2AALDH1A1LMNA
Water SCHEMBL6544000 0.80 HSD11B1 (0.77) HSD11B1MEN1KMT2AALDH1A1LMNA
Water SCHEMBL6544001 0.80 HSD11B1 (0.77) HSD11B1MEN1KMT2AALDH1A1LMNA

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