SCHEMBL6947162

SCHEMBL6947162

CN1C2CCC1CC(N1CCN(C(=O)CC3=C(C(=O)O)C(c4cccc(Cl)c4Cl)C(C(=O)O)=C(CCc4ccccc4C(=O)N4CCNCC4)N3)CC1)C2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.35
CCR3 P51677 1/20 0.35
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PYGL P06737 1/20 0.33
PYGM P11217 1/20 0.33
POLB P06746 1/20 0.33
MGLL Q99685 4/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
TSHR P16473 1/20 0.31
CHRM2 P08172 2/20 0.31
P2RX7 Q99572 2/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
AVPR1A P37288 1/20 0.31

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
SCHEMBL6946279 0.92 RXFP1 (0.37) RXFP1CCR3TPSAB1TPSD1TPSG1
SCHEMBL6948042 0.85 RXFP1 (0.35) RXFP1CCR3TPSAB1TPSD1TPSG1
SCHEMBL8049632 0.82 CCR3 (0.35) CCR3MEN1KMT2APYGLPYGM
SCHEMBL6948051 0.80 RXFP1 (0.37) RXFP1CCR3TPSAB1TPSD1TPSG1
SCHEMBL6943528 0.80 CCR3 (0.36) CCR3MEN1KMT2AALDH1A1KDM4E
SCHEMBL6152408 0.80 CCR3 (0.36) CCR3MEN1KMT2AALDH1A1KDM4E
SCHEMBL6947171 0.80 CCR3 (0.34) CCR3MGLLALDH1A1KDM4ECHRM2
SCHEMBL7838559 0.78 SIGMAR1 (0.42) CCR3MEN1KMT2AMGLLALDH1A1
SCHEMBL6153146 0.78 CCR3 (0.34) CCR3MEN1KMT2AALDH1A1KDM4E
SCHEMBL6152430 0.77 CCR3 (0.34) CCR3MEN1KMT2AALDH1A1KDM4E

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-1307449-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2003-05-07 EP disclosed
WO-2002012235-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2002-02-14 WO disclosed