SCHEMBL5365513

SCHEMBL5365513

COc1ccc2ccccc2c1C(=O)N(Cc1ccccc1)Cc1ccc(O)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.45
TRPV1 Q8NER1 2/20 0.43
TSHR P16473 6/20 0.43
RAF1 P04049 2/20 0.41
MAP2K1 Q02750 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSD P07339 1/20 0.39
PDK1 Q15118 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
SCHEMBL5359225 0.81 CFTR (0.52) CFTRTSHRMEN1KMT2ACTSD
SCHEMBL5366161 0.80 CFTR (0.54) CFTRTRPV1TSHRPDK1
SCHEMBL14134465 0.72 SMN1; SMN2 (0.53) TSHRMEN1KMT2ACTSD
SCHEMBL14093517 0.69 KDM4E (0.45) MEN1KMT2A
SCHEMBL5361213 0.68 LMNA (0.41) CFTRMEN1KMT2ACTSD
SCHEMBL3997345 0.68 NCEH1 (0.58) MEN1KMT2ACTSD
SCHEMBL14093515 0.67 F2 (0.49)
SCHEMBL5361690 0.67 TSHR (0.42) TSHRMEN1KMT2APDK1
SCHEMBL11849935 0.66 CNR2 (0.52) MEN1KMT2ACTSD
SCHEMBL31484246 0.66 MAPT (0.46) MEN1KMT2ACTSD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US claimed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed