SCHEMBL8174166

SCHEMBL8174166

CCCCCCCCCCCCCCCCCCN(C)C(=O)N1CCCCC1CCOCCCCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
F2 P00734 3/20 0.36
PRSS1 P07477 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL7479247 0.91 MAPT (0.37) S1PR1S1PR3S1PR5F2PRSS1
SCHEMBL7474618 0.87 MEN1 (0.45) MAPTMEN1TP53CYP1A2CYP2D6
SCHEMBL7479285 0.87 GBA2 (0.40) S1PR1S1PR3S1PR5F2PRSS1
SCHEMBL7479855 0.85 NPC1 (0.44) MAPTMEN1TP53CYP1A2CYP2D6
SCHEMBL7479744 0.85 MAPT (0.50) S1PR1S1PR3S1PR5MAPTMEN1
SCHEMBL7482175 0.84 GBA2 (0.40) S1PR1S1PR3S1PR5F2PRSS1
SCHEMBL27517935 0.83 NPC1 (0.41) S1PR1S1PR3S1PR5MAPTMEN1
SCHEMBL7477702 0.83 DNM1 (0.41)
SCHEMBL8198867 0.81 DPP4 (0.39) S1PR1S1PR3S1PR5MAPTMEN1
SCHEMBL7473837 0.78 AKR1C3 (0.38) F2PRSS1SIGMAR1

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-6057337-A USEFUL FOR CARE, IMPROVEMENT OR PREVENTION OF HAIR LOSS SHISEIDO CO., LTD. (JP) 2000-05-02 US disclosed