SCHEMBL7873213

SCHEMBL7873213

CC(=O)NCC1(c2ccccc2)CC[N]CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRL1 P41146 1/20 0.51
DRD3 P35462 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CNR1 P21554 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
P2RX7 Q99572 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46

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
SCHEMBL3373766 0.84 LMNA (0.68) LMNASMN1; SMN2L3MBTL1NPSR1MEN1
SCHEMBL373329 0.82 LMNA (0.52) LMNASMN1; SMN2L3MBTL1NPSR1OPRM1
SCHEMBL15630668 0.82 ALDH1A1 (0.64) LMNASMN1; SMN2L3MBTL1NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL7801197 0.81 LMNA (0.51) LMNASMN1; SMN2L3MBTL1NPSR1OPRM1
SCHEMBL27719893 0.78 LMNA (0.59) LMNASMN1; SMN2L3MBTL1NPSR1MEN1
SCHEMBL14513353 0.76 DRD3 (0.53) LMNASMN1; SMN2L3MBTL1NPSR1OPRM1
SCHEMBL3937184 0.76 NPFFR1 (0.66) LMNAL3MBTL1OPRL1DRD3MEN1
SCHEMBL8353279 0.74 TSHR (0.54) LMNASMN1; SMN2L3MBTL1NPSR1OPRM1
SCHEMBL6867538 0.73 MAOA (0.45) LMNASMN1; SMN2L3MBTL1NPSR1OPRM1
SCHEMBL6158885 0.73 POLB (0.57) OPRM1OPRL1HSD17B10CNR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808303-B1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
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