SCHEMBL18901628

SCHEMBL18901628

CNC1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.44
KCNH2 Q12809 1/20 0.44
PARP1 P09874 1/20 0.40
ACACB O00763 1/20 0.39
LRRK2 Q5S007 3/20 0.39
LCAT P04180 2/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MTNR1B P49286 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
CCR5 P51681 1/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
POLB P06746 1/20 0.36
KDR P35968 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL18544729 0.78 MAP4K4 (0.50) CCR2PARP1LCATLMNASMN1; SMN2
SCHEMBL27726196 0.76 PARP1 (0.50) CCR2KCNH2PARP1ACACBLCAT
SCHEMBL16648636 0.73 ITGB2 (0.47) CCR2PARP1ACACBLRRK2LCAT
SCHEMBL2277568 0.72 LCAT (0.45) CCR2KCNH2PARP1ACACBLCAT
SCHEMBL12969007 0.71 GPR119 (0.54) PARP1LMNASMN1; SMN2MAPTCKS1B
Hydrochloric Acid SCHEMBL3331239 0.70 HRH3 (0.52) CCR2KCNH2ACACBHRH3CCR5
SCHEMBL2277215 0.70 CKS1B (0.53) CCR2KCNH2ACACBLCATCKS1B
SCHEMBL12968847 0.69 CYP1A2 (0.57) SMN1; SMN2HRH3MAPTHRH4
SCHEMBL19658786 0.69 TAF1 (0.51) CCR2KCNH2PARP1ACACBLCAT
SCHEMBL31706492 0.69 MTNR1B (0.49) LRRK2LMNAMTNR1BTP53MAPT

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
EP-1763351-B9 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2017-05-31 EP disclosed