SCHEMBL7249057

SCHEMBL7249057

Fc1ccc([CH]C2CCNCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A3 Q01959 6/20 0.39
HTR1A P08908 4/20 0.39
IKBKB O14920 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK12 P53778 1/20 0.36

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
SCHEMBL1119443 0.85 LMNA (0.42) IKBKBLMNAMAPTHTTSMN1; SMN2
SCHEMBL652509 0.81 NPC1 (0.42) IKBKBLMNAMAPTHTTSMN1; SMN2
SCHEMBL5213208 0.81 MAOB (0.51) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6002534 0.80 HTR3A (0.44) SLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL6002937 0.79 SLC18A3 (0.48) LMNA
SCHEMBL16861712 0.76 MAPT (0.37) LMNAMAPTHTTSMN1; SMN2
SCHEMBL8481040 0.76 AKT1 (0.39) SLC6A2SLC6A4SLC6A3IKBKBMKNK1
SCHEMBL27697688 0.75 EPHX1 (0.47) SLC6A4
SCHEMBL20015401 0.74 MAOB (0.46)
Trifluoroacetic Acid SCHEMBL19994588 0.73 HSD11B1 (0.42) SLC6A2SLC6A4SLC6A3LMNA

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
US-6521614-B1 Anticoagulant agents for treatment and prevention of thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-18 US disclosed