SCHEMBL12302305

SCHEMBL12302305

Cc1cc(NC(=O)N2CCN(c3nsnc3OCCC3CCNCC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.42
▸ NR2E1 Q9Y466 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KIT P10721 2/20 0.38
▸ PAK1 Q13153 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ P2RY12 Q9H244 1/20 0.37

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
SCHEMBL2384156 0.94 TRPV1 (0.43) TRPV1NR2E1KITPAK1MAPT
SCHEMBL2385128 0.87 PAK1 (0.43) TRPV1NR2E1KITPAK1MAPT
SCHEMBL12302876 0.85 TRPV1 (0.40) TRPV1NR2E1MEN1KMT2AKIT
SCHEMBL12302306 0.84 TRPV1 (0.44) TRPV1NR2E1MEN1KMT2AKIT
SCHEMBL2385364 0.79 CCR2 (0.41) TRPV1NR2E1KITPAK1MAPT
SCHEMBL2382791 0.78 TRPV1 (0.43) TRPV1KITMAPTLMNA
SCHEMBL2382905 0.77 TRPV1 (0.46) TRPV1NR2E1KITPAK1MAPT
SCHEMBL2384579 0.76 IDH2 (0.44) TRPV1MEN1KMT2APAK1
SCHEMBL2385060 0.76 RXFP1 (0.46) TRPV1MEN1KMT2A
SCHEMBL2386608 0.74 PDGFRB (0.46) TRPV1NR2E1KIT

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-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
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