SCHEMBL10936587

SCHEMBL10936587

CCCC(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)NCC)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.49
CACNA2D1 P54289 1/20 0.47
CACNA1B Q00975 1/20 0.47
CACNB1 Q02641 1/20 0.47
CACNA1C Q13936 1/20 0.47
LMNA P02545 2/20 0.45
SLC6A9 P48067 2/20 0.45
MEN1 O00255 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
KMT2A Q03164 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
NPC1 O15118 1/20 0.43
TACR1 P25103 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FAAH O00519 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL10939029 0.89 MC4R (0.45) MC4RCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL10507831 0.79 FAAH (0.57) CACNA2D1CACNA1BCACNB1CACNA1CLMNA
Hydrochloric Acid SCHEMBL10935504 0.78 KMT2A (0.61) MC4RCACNA1CMEN1CNR1CNR2
SCHEMBL10933074 0.76 CNR1 (0.50) CACNA2D1CACNA1BCACNB1MEN1CNR1
SCHEMBL10936578 0.76 KMT2A (0.47) MEN1CNR1CNR2KMT2ASMN1; SMN2
SCHEMBL2931059 0.73 CACNA2D1 (0.53) MC4RCACNA2D1CACNA1BCACNB1CACNA1C
Hydrochloric Acid SCHEMBL10936662 0.71 KMT2A (0.62) MC4RCACNA1CMEN1CNR1CNR2
SCHEMBL1760998 0.71 CHRM2 (0.48) MC4RCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL548109 0.71 SLC6A9 (0.49) MC4RCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL29710209 0.70 CHRM4 (0.56) LMNANPC1SMN1; SMN2RAB9ADRD2

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
WO-1985000811-A1 NOVEL 1-PIPERAZINECARBOXAMIDE DERIVATIVES AB FERROSAN (SE) 1985-02-28 WO disclosed