SCHEMBL669694

SCHEMBL669694

O=C(Nc1ccccc1F)N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
KDM4E B2RXH2 1/20 0.57
TRPV1 Q8NER1 3/20 0.52
FAAH O00519 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 3/20 0.51
ABCC1 P33527 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47

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
SCHEMBL30576775 1.00 POLB (0.60) POLBRAB9ANPC1KDM4ETRPV1
SCHEMBL13366272 0.85 RAB9A (0.64) RAB9ANPC1KDM4ETRPV1FAAH
SCHEMBL4559135 0.85 SMN1; SMN2 (0.51) POLBRAB9ANPC1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL28230855 0.85 POLB (0.61) POLBRAB9ANPC1KMT2AMEN1
SCHEMBL20886932 0.82 POLB (0.55) POLBRAB9ANPC1KDM4ETRPV1
SCHEMBL653099 0.82 TAS1R3 (0.62) POLBKDM4EFAAHSMN1; SMN2KMT2A
SCHEMBL30965826 0.82 TAS1R3 (0.62) POLBKDM4EFAAHSMN1; SMN2KMT2A
SCHEMBL20236493 0.81 RAB9A (0.59) RAB9ANPC1KDM4ETRPV1FAAH
SCHEMBL22218315 0.81 KDM4E (0.65) RAB9ANPC1KDM4ETRPV1FAAH
SCHEMBL28269904 0.81 KMT2A (0.68) RAB9ANPC1KDM4ETRPV1FAAH

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-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed