SCHEMBL14609971

SCHEMBL14609971

NCCCN(Cc1cccnc1)C(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 3/20 0.57
▸ SGMS2 Q8NHU3 3/20 0.52
▸ SLC1A5 Q15758 1/20 0.48
▸ LRRK2 Q5S007 5/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.42
▸ LPAR1 Q92633 1/20 0.42

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
SCHEMBL14610001 0.89 TRPM8 (0.65) TRPM8SGMS2LPAR1
SCHEMBL14610257 0.86 TRPM8 (0.64) TRPM8SGMS2LPAR1
SCHEMBL14610217 0.84 TRPM8 (0.60) TRPM8SLC1A5MAPTLPAR1
SCHEMBL14610621 0.84 TRPM8 (0.62) TRPM8SGMS2SLC1A5
SCHEMBL14610589 0.83 TRPM8 (0.59) TRPM8SLC1A5ALDH1A1RAF1MAP2K1
SCHEMBL14610018 0.83 TRPM8 (0.59) TRPM8SGMS2LPAR1
SCHEMBL14610010 0.82 TRPM8 (0.58) TRPM8SGMS2ALDH1A1
Hydrochloric Acid SCHEMBL5372786 0.82 TRPM8 (0.58) TRPM8SLC1A5ALDH1A1RAF1MAP2K1
SCHEMBL14609962 0.82 TRPM8 (0.75) TRPM8SGMS2LPAR1
SCHEMBL14610072 0.81 TRPM8 (0.56) TRPM8SLC1A5ALDH1A1MAPTLPAR1

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-2007017093-A1 SUBSTITUTED 2-BENZYLOXY-BENZOIC ACID AMIDE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-02-15 — — WO disclosed
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