SCHEMBL651207

SCHEMBL651207

CCCCn1c(-c2ccccc2C)nc(Cl)c1CC(NCc1ccc(C(N)=O)c(O)c1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AGTR1 P30556 6/20 0.33
MME P08473 5/20 0.33
CNR2 P34972 2/20 0.33
AGTR2 P50052 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL650395 0.86 MEN1 (0.35) MEN1KMT2AAGTR1MMEAGTR2
SCHEMBL651421 0.85 AGTR1 (0.41) AGTR1MMEAGTR2
SCHEMBL650483 0.81 AGTR1 (0.35) MEN1KMT2AAGTR1AGTR2
SCHEMBL648737 0.76 TSHR (0.37) AGTR1AGTR2
SCHEMBL652416 0.75 ADRA1D (0.37) AGTR1CNR2
SCHEMBL650210 0.74 CNR2 (0.33) CNR2CNR1
SCHEMBL650385 0.72 ADORA3 (0.36) MEN1KMT2AAGTR1AGTR2
SCHEMBL652197 0.71 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL651121 0.71 MEN1 (0.34) MEN1KMT2AAGTR1
SCHEMBL5929232 0.71 PARP1 (0.40) MEN1KMT2A

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-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed