SCHEMBL18901634

SCHEMBL18901634

NC1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
FFAR4 Q5NUL3 1/20 0.48
ADRB1 P08588 1/20 0.48
TRPV1 Q8NER1 2/20 0.48
POLB P06746 1/20 0.47
DPP4 P27487 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
CCR2 P41597 6/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ABL1 P00519 1/20 0.43
LMNA P02545 1/20 0.43
CHRM4 P08173 1/20 0.43
KCNH2 Q12809 3/20 0.43

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
SCHEMBL18544404 0.81 HRH3 (0.54) MAPTHRH3FFAR4ADRB1TRPV1
SCHEMBL18901429 0.80 SYK (0.49) MAPTHRH3TRPV1CCR2KDM4E
SCHEMBL27747094 0.78 ADRB1 (0.62) MAPTHRH3FFAR4ADRB1TRPV1
SCHEMBL18901695 0.78 PKM (0.53) ADRB1CCR2KDM4EALDH1A1LMNA
SCHEMBL18901682 0.78 POLB (0.51) TRPV1POLBCCR2LMNAKCNH2
SCHEMBL1350579 0.77 ADRB1 (0.64) MAPTHRH3FFAR4ADRB1DPP4
SCHEMBL18901699 0.77 HRH3 (0.49) HRH3POLBDPP4DPP7CCR2
Trifluoroacetic Acid SCHEMBL4155295 0.77 POLB (0.67) MAPTPOLBALDH1A1LMNA
SCHEMBL7134998 0.77 KDM4E (0.67) MAPTHRH3FFAR4ADRB1DPP4
SCHEMBL18901821 0.76 TRPV1 (0.39) TRPV1

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