SCHEMBL18901682

SCHEMBL18901682

NC1CCC(C(=O)N2CCN(c3cncc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
SMYD3 Q9H7B4 2/20 0.40
CCR2 P41597 1/20 0.40
KCNH2 Q12809 1/20 0.40
LCAT P04180 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
CNR1 P21554 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL4155295 0.81 POLB (0.67) POLBLMNASMN1; SMN2USP2TSHR
SCHEMBL18901678 0.79 CCR2 (0.44) POLBLMNASMN1; SMN2USP2TSHR
SCHEMBL18901634 0.78 MAPT (0.50) POLBLMNACCR2KCNH2TRPV1
SCHEMBL3327045 0.78 IDO1 (0.57) POLBLMNASMN1; SMN2TSHRCCR2
SCHEMBL34469409 0.77 LMNA (0.57) POLBLMNASMN1; SMN2USP2TSHR
SCHEMBL18901823 0.75 CYP11B2 (0.40) USP2TSHRSMYD3
SCHEMBL18901677 0.75 CCR2 (0.56) POLBPIK3CDPIK3CACCR2KCNH2
SCHEMBL22494771 0.74 TDP1 (0.56) LMNASMN1; SMN2USP2TSHRTDP1
SCHEMBL4296524 0.74 CCR2 (0.61) CCR2KCNH2
SCHEMBL13361867 0.74 CCR2 (0.61) CCR2KCNH2

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