SCHEMBL8300348

SCHEMBL8300348

[CH2]C(CCN1CCC(C(=O)NCCC(=O)OC)(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 15/20 0.47
TACR1 P25103 14/20 0.47
TACR3 P29371 1/20 0.47
MCHR1 Q99705 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL8292263 0.85 TACR1 (0.44) TACR2TACR1TACR3MCHR1SLC6A2
SCHEMBL8940496 0.83 TACR2 (0.61) TACR2TACR1TACR3
SCHEMBL8296720 0.83 TACR2 (0.61) TACR2TACR1TACR3
SCHEMBL8297274 0.79 TACR2 (0.46) TACR2TACR1TACR3
Citric Acid SCHEMBL8940305 0.78 TACR2 (0.55) TACR2TACR1TACR3
SCHEMBL8828923 0.71 TACR2 (0.66) TACR2TACR1TACR3
SCHEMBL8301140 0.71 TACR2 (0.66) TACR2TACR1TACR3
SCHEMBL8300377 0.71 FPR3 (0.35)
SCHEMBL8912293 0.71 FPR3 (0.35)
SCHEMBL8828992 0.70 TACR2 (0.67) TACR2TACR1TACR3

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-0726893-B1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LTD (GB) 1999-12-22 EP claimed
EP-0726893-B1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LTD (GB) 1999-12-22 EP disclosed