SCHEMBL4598241

SCHEMBL4598241

O=C(NCCCCO)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.67
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.62
MCHR1 Q99705 1/20 0.57
GPR139 Q6DWJ6 1/20 0.53
POLB P06746 1/20 0.51
TRPV1 Q8NER1 2/20 0.51
ABL1 P00519 2/20 0.50
KAT6A Q92794 1/20 0.50
PDK2 Q15119 1/20 0.50
DDR1 Q08345 2/20 0.49
BCR P11274 1/20 0.49
HTR2C P28335 1/20 0.49
MAPK14 Q16539 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL13753114 0.84 ALDH1A1 (0.64) NAMPTHDAC3HDAC1MCHR1GPR139
SCHEMBL13702288 0.81 GPR139 (0.60) NAMPTHDAC3HDAC1MCHR1GPR139
SCHEMBL3707857 0.81 NAMPT (1.00) NAMPTHDAC3HDAC1
SCHEMBL5481576 0.80 NAMPT (0.61) NAMPTHDAC3HDAC1MCHR1POLB
SCHEMBL9159770 0.79 KMT2A (0.52) NAMPTPOLBGAAMAPTSMN1; SMN2
SCHEMBL679553 0.79 KAT6A (0.58) NAMPTHDAC3HDAC1MCHR1GPR139
SCHEMBL31180472 0.79 KAT6A (0.58) NAMPTHDAC3HDAC1MCHR1GPR139
SCHEMBL18620677 0.78 GPR139 (0.55) NAMPTHDAC3HDAC1MCHR1GPR139
SCHEMBL22753368 0.78 GPR139 (0.58) NAMPTHDAC3HDAC1MCHR1GPR139
SCHEMBL14528870 0.78 GPR139 (0.61) NAMPTHDAC3HDAC1MCHR1GPR139

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-2008065500-A2 HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed