SCHEMBL13151484

SCHEMBL13151484

CN1CC[C@H]2C[C@H](NC(=O)c3cc4cc(Cl)ccc4n3C)CCC2C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.52
▸ AHR P35869 1/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ PHGDH O43175 9/20 0.43
▸ CHRNA7 P36544 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.40
▸ ROCK1 Q13464 1/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC3 O15379 1/20 0.39

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
SCHEMBL47199 1.00 RXFP1 (0.52) RXFP1AHRMEN1KMT2APHGDH
SCHEMBL42264 1.00 RXFP1 (0.52) RXFP1AHRMEN1KMT2APHGDH
SCHEMBL10112550 0.85 USP30 (0.56) RXFP1AHRMEN1KMT2AUSP30
SCHEMBL13151478 0.85 USP30 (0.56) RXFP1AHRMEN1KMT2AUSP30
SCHEMBL14817845 0.71 RXFP1 (0.56) RXFP1AHRMEN1KMT2APHGDH
SCHEMBL1253301 0.70 RXFP1 (0.72) RXFP1AHRMEN1KMT2APHGDH
SCHEMBL15045011 0.69 RXFP1 (0.46) RXFP1AHRMEN1KMT2APHGDH
SCHEMBL2276515 0.68 CHRNA7 (0.61) MEN1KMT2ACHRNA7HDAC1
SCHEMBL31264257 0.67 AHR (0.60) RXFP1AHRMEN1KMT2APHGDH
SCHEMBL15045075 0.66 F10 (0.70) —

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-2010119984-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-21 — — WO disclosed
Send feedback