SCHEMBL651220

SCHEMBL651220

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(OCC)c1)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
NR1H3 Q13133 1/20 0.40
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MDM2 Q00987 1/20 0.36
BCHE P06276 3/20 0.36
ICMT O60725 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CETP P11597 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL649510 0.94 NR1H4 (0.46) C5AR1NR1H4SMN1; SMN2KDM4EHTT
SCHEMBL649258 0.92 C5AR1 (0.45) C5AR1MAPTKDM4EBCHEALDH1A1
SCHEMBL650105 0.91 C5AR1 (0.46) C5AR1KDM4EMEN1KMT2AALDH1A1
SCHEMBL650569 0.90 C5AR1 (0.44) C5AR1MAPTSMN1; SMN2BCHE
SCHEMBL649417 0.90 C5AR1 (0.43) C5AR1MAPTKDM4EMEN1KMT2A
SCHEMBL653237 0.90 C5AR1 (0.40) C5AR1NR1H4NR1H3SMN1; SMN2KDM4E
SCHEMBL649941 0.90 C5AR1 (0.41) C5AR1SMN1; SMN2MEN1KMT2ATRPV4
SCHEMBL648177 0.90 C5AR1 (0.42) C5AR1MAPTBCHE
SCHEMBL650505 0.90 C5AR1 (0.43) C5AR1MAPTSMN1; SMN2KDM4EBCHE
SCHEMBL648926 0.89 C5AR1 (0.41) C5AR1NR1H3SMN1; SMN2MEN1KMT2A

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 4 patents. 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
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed