SCHEMBL8913063

SCHEMBL8913063

[NH]C1(CO)CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.58
CYP3A4 P08684 2/20 0.57
HSD17B10 Q99714 1/20 0.57
POLB P06746 3/20 0.57
SIGMAR1 Q99720 4/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP2C9 P11712 2/20 0.53
TSHR P16473 2/20 0.53
CYP2C19 P33261 2/20 0.53
HIF1A Q16665 1/20 0.53
CCR3 P51677 1/20 0.53
CYP2D6 P10635 3/20 0.51
GAA P10253 1/20 0.51
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
OPRM1 P35372 1/20 0.50
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL18123311 0.82 POLB (0.65) OPRL1CYP3A4HSD17B10POLBSIGMAR1
SCHEMBL28548988 0.82 OPRL1 (0.71) OPRL1CYP3A4HSD17B10POLBSIGMAR1
SCHEMBL1366704 0.81 OPRL1 (0.65) OPRL1CYP3A4HSD17B10POLBSIGMAR1
SCHEMBL7852661 0.80 SIGMAR1 (0.63) OPRL1CYP3A4HSD17B10POLBSIGMAR1
SCHEMBL1290790 0.79 OPRL1 (0.58) OPRL1CYP3A4HSD17B10POLBSIGMAR1
SCHEMBL1973357 0.79 OPRL1 (0.58) OPRL1CYP3A4HSD17B10POLBSIGMAR1
SCHEMBL1269135 0.79 OPRL1 (0.58) OPRL1CYP3A4HSD17B10POLBSIGMAR1
SCHEMBL2789160 0.78 OPRL1 (0.66) OPRL1CYP3A4HSD17B10POLBSIGMAR1
SCHEMBL5995214 0.78 POLB (0.77) OPRL1POLBMEN1KMT2AALDH1A1
SCHEMBL16579984 0.77 KMT2A (0.65) OPRL1CYP3A4HSD17B10POLBSIGMAR1

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