SCHEMBL6840044

SCHEMBL6840044

COc1cccc(NC(=O)N[C@H](CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.58
FAAH O00519 6/20 0.56
TP53 P04637 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
THRB P10828 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL5580108 1.00 CCR3 (0.58) CCR3FAAHTP53NPC1RAB9A
SCHEMBL3928596 1.00 CCR3 (0.58) CCR3FAAHTP53NPC1RAB9A
SCHEMBL5741649 0.88 CCR3 (0.61) CCR3MEN1KMT2A
SCHEMBL5741643 0.88 CCR3 (0.61) CCR3MEN1KMT2A
SCHEMBL5854789 0.88 CCR3 (0.61) CCR3MEN1KMT2A
SCHEMBL5742782 0.85 CCR3 (0.52) CCR3FAAHRAB9ASMN1; SMN2MEN1
SCHEMBL5742772 0.85 CCR3 (0.52) CCR3FAAHRAB9ASMN1; SMN2MEN1
SCHEMBL5741336 0.85 CCR3 (0.56) CCR3FAAHTP53NPC1RAB9A
SCHEMBL5741334 0.85 CCR3 (0.56) CCR3FAAHTP53NPC1RAB9A
SCHEMBL4034536 0.80 MCHR1 (0.65) CCR3NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770650-B2 CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA SYNTEX (U.S.A.) LLC 2004-08-03 US disclosed