Sugi Predict

Sugi Predict / Compounds / SCHEMBL846675

SCHEMBL846675

SCHEMBL846675

CCCCCN(Cc1ccccc1)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1.NC(=O)c1ccccc1-c1cnc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 18/20 0.59
▸ KDR P35968 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MITF O75030 1/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ KLF5 Q13887 1/20 0.46

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
SCHEMBL846095 0.89 TRPV1 (0.74) TRPV1KDRKDM4ENPC1MITF
SCHEMBL846676 0.88 TRPV1 (0.72) TRPV1KDRKDM4ENPC1MITF
SCHEMBL846530 0.82 TRPV1 (0.82) TRPV1KDRKDM4ENPC1MITF
SCHEMBL845804 0.81 TRPV1 (0.83) TRPV1KDRKDM4ENPC1MITF
SCHEMBL846576 0.79 TRPV1 (0.82) TRPV1KDRKDM4ENPC1MITF
SCHEMBL845892 0.79 KDR (0.70) TRPV1KDRKDM4ENPC1MITF
SCHEMBL846730 0.76 TRPV1 (0.77) TRPV1KDRKDM4ENPC1MITF
SCHEMBL846823 0.75 TRPV1 (1.00) TRPV1KDRKDM4ENPC1MITF
SCHEMBL846097 0.75 TRPV1 (0.81) TRPV1KDRKDM4ENPC1MITF
SCHEMBL846569 0.75 TRPV1 (0.72) TRPV1KDRKDM4ENPC1MITF

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
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 — — EP disclosed