SCHEMBL16985206

SCHEMBL16985206

CCN(CCCC(=O)NCCCCC(C(=O)O)N(C)CC)c1cc(OC)c(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)cc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.40
▸ P2RY6 Q15077 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GBA1 P04062 2/20 0.39
▸ ITPR1 Q14643 1/20 0.39
▸ FPR2 P25090 2/20 0.38
▸ SLC6A4 P31645 5/20 0.37
▸ P2RY2 P41231 1/20 0.37
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A3 Q01959 2/20 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
SCHEMBL16985191 0.96 HTR3A (0.39) HTR3AP2RY6CA12CA1CA2
SCHEMBL18884170 0.91 FPR2 (0.33) HTR3ACA12CA1CA2CA9
SCHEMBL16986035 0.88 HTR3A (0.39) HTR3AP2RY6CA12CA1CA2
SCHEMBL16985194 0.87 HTR3A (0.37) HTR3AP2RY6CA12CA1CA2
SCHEMBL14013355 0.85 HTR3A (0.44) HTR3AP2RY6CA12CA1CA2
SCHEMBL17030726 0.85 ABCB1 (0.41) FPR2SLC6A4
SCHEMBL16970585 0.85 HTR3A (0.41) HTR3AP2RY6CA12CA1CA2
SCHEMBL14013342 0.84 HTR3A (0.44) HTR3AP2RY6CA12CA1CA2
SCHEMBL14163205 0.84 P2RY6 (0.45) HTR3AP2RY6CA12CA1CA2
SCHEMBL14013358 0.83 HTR3A (0.47) HTR3AP2RY6CA12CA1CA2

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-20150218379-A1 Fluorogenic pH-Sensitive Dyes and Their Methods of Use (II) Life Technologies Corporation 2015-08-06 — — US disclosed
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