SCHEMBL649510

SCHEMBL649510

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OCC)cc1)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.46
C5AR1 P21730 1/20 0.42
LTB4R2 Q9NPC1 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 1/20 0.39
MMP13 P45452 1/20 0.38
MDM2 Q00987 1/20 0.38
P2RX3 P56373 1/20 0.36
CXCR3 P49682 1/20 0.36
CASR P41180 1/20 0.36
CACNA2D1 P54289 1/20 0.36
UBE2M P61081 2/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRHR1 P34998 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
ATP4A P20648 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
SCHEMBL651220 0.94 C5AR1 (0.41) NR1H4C5AR1MEN1KMT2AMDM2
SCHEMBL650105 0.92 C5AR1 (0.46) C5AR1MEN1KMT2AP2RX3UBE2M
SCHEMBL648971 0.92 C5AR1 (0.42) NR1H4C5AR1LTB4R2MEN1KMT2A
SCHEMBL649713 0.90 C5AR1 (0.45) C5AR1CNR2MMP13CACNA2D1KDM4E
SCHEMBL650285 0.90 C5AR1 (0.41) NR1H4C5AR1LTB4R2MEN1KMT2A
SCHEMBL650569 0.88 C5AR1 (0.44) C5AR1CACNA2D1SMN1; SMN2ATP4AATP4B
SCHEMBL5136743 0.88 C5AR1 (0.45) C5AR1MEN1KMT2ACNR2P2RX3
SCHEMBL649258 0.88 C5AR1 (0.45) C5AR1CACNA2D1KDM4E
SCHEMBL649941 0.87 C5AR1 (0.41) C5AR1LTB4R2MEN1KMT2ASMN1; SMN2
SCHEMBL649523 0.87 MEN1 (0.46) C5AR1MEN1KMT2ACNR2MDM2

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 5 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-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