SCHEMBL8301176

SCHEMBL8301176

CCNC(=O)C1(N2CCCCC2=O)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
OPRD1 P41143 1/20 0.30
PSMB9 P28065 1/20 0.30
LMNA P02545 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL8300720 0.85 HTT (0.35) HTTKMT2AUSP2
SCHEMBL6160228 0.85 CYP1A2 (0.33) KMT2AALDH1A1CYP1A2
SCHEMBL8300486 0.84 TSHR (0.34)
SCHEMBL8300377 0.83 FPR3 (0.35)
SCHEMBL6158571 0.81 PPIA (0.35) ALDH1A1CYP1A2
SCHEMBL8291797 0.80 METAP2 (0.46) HTTKMT2AUSP2ALDH1A1
SCHEMBL6159606 0.80 OPRM1 (0.42) KMT2AALDH1A1OPRD1
SCHEMBL8913135 0.80 KMT2A (0.31) KMT2ACYP1A2CA2
SCHEMBL8301187 0.79 KDM4E (0.34) HTTKMT2AALDH1A1LMNACA12
SCHEMBL6159570 0.78 MAPT (0.32) CYP1A2

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 5 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 disclosed
US-5677317-A Lactam compounds which are useful in the treatment of asthma ZENECA LIMITED (GB) 1997-10-14 US disclosed
EP-0726893-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1996-08-21 EP disclosed
US-5534525-A Lactam derivatives ZENECA LIMITED (GB) 1996-07-09 US disclosed
WO-1995012577-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1995-05-11 WO disclosed