SCHEMBL3420732

SCHEMBL3420732

CCC1(CC)CCC(N[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.35
BTK Q06187 1/20 0.34
POLB P06746 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR1H2 P55055 1/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
HTRA1 Q92743 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 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
SCHEMBL2363475 0.91 CCR2 (0.42) CCR2SMN1; SMN2POLBCYP1A2CYP3A4
SCHEMBL3383512 0.87 CCR2 (0.44) CCR2SMN1; SMN2HSD17B10BTKPOLB
SCHEMBL3384307 0.87 CCR2 (0.44) CCR2SMN1; SMN2HSD17B10BTKPOLB
SCHEMBL3384262 0.86 CCR2 (0.45) CCR2SMN1; SMN2HSD17B10BTKPOLB
SCHEMBL4311053 0.84 BTK (0.48) CCR2SMN1; SMN2HSD17B10BTKPOLB
SCHEMBL4311050 0.84 BTK (0.48) CCR2SMN1; SMN2HSD17B10BTKPOLB
SCHEMBL4311057 0.84 BTK (0.48) CCR2SMN1; SMN2HSD17B10BTKPOLB
SCHEMBL3382254 0.82 CCR2 (0.39) CCR2SMN1; SMN2HSD17B10BTKPOLB
SCHEMBL3382246 0.82 CCR2 (0.39) CCR2SMN1; SMN2HSD17B10BTKPOLB
SCHEMBL5133167 0.82 CCR2 (0.39) CCR2SMN1; SMN2HSD17B10BTKPOLB

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-2350060-B1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2013-09-18 EP disclosed
WO-2010056022-A2 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2010-05-20 WO disclosed