SCHEMBL1915352

SCHEMBL1915352

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C(F)(F)F)c1)Cc1ccc(O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV4 Q9HBA0 5/20 0.37
UBE2M P61081 3/20 0.36
DCUN1D1 Q96GG9 3/20 0.36
P2RX3 P56373 1/20 0.36
MDM2 Q00987 3/20 0.36
ADORA2B P29275 1/20 0.35
TSHR P16473 1/20 0.34
TLR8 Q9NR97 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL651024 0.92 C5AR1 (0.47) C5AR1TSHR
SCHEMBL650105 0.90 C5AR1 (0.46) C5AR1MEN1KMT2ATRPV4UBE2M
SCHEMBL648704 0.90 C5AR1 (0.42) C5AR1MEN1KMT2ATRPV4UBE2M
SCHEMBL1915566 0.89 C5AR1 (0.45) C5AR1MEN1KMT2ATSHR
SCHEMBL648166 0.88 C5AR1 (0.43) C5AR1MEN1KMT2ATRPV4UBE2M
SCHEMBL650018 0.88 C5AR1 (0.46) C5AR1TSHR
SCHEMBL5136743 0.88 C5AR1 (0.45) C5AR1MEN1KMT2ATRPV4UBE2M
SCHEMBL649523 0.87 MEN1 (0.46) C5AR1MEN1KMT2ATRPV4P2RX3
SCHEMBL5137122 0.87 MEN1 (0.46) C5AR1MEN1KMT2ATRPV4P2RX3
SCHEMBL651067 0.87 C5AR1 (0.42) C5AR1MEN1KMT2ATRPV4UBE2M

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