SCHEMBL650781

SCHEMBL650781

CCCCn1c(-c2c(C)cccc2C)nc(Cl)c1CN(CCC(C)C)C(CCC)CCC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
TLR8 Q9NR97 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 1/20 0.32
CASR P41180 2/20 0.32
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5928902 0.75 TLR8 (0.43) TLR8CASR
SCHEMBL5929077 0.74 TLR8 (0.42) TLR8
SCHEMBL5928905 0.72 TLR8 (0.47) TLR8CASRALDH1A1
SCHEMBL5633552 0.72 CASR (0.31) CASRALDH1A1
SCHEMBL649586 0.69 CALM1 (0.38) KMT2ACNR2
SCHEMBL648465 0.69 RORC (0.36) KMT2AALDH1A1
SCHEMBL648120 0.69 SMPD1 (0.38) KMT2AL3MBTL1ALDH1A1
SCHEMBL650387 0.69 BCHE (0.35) KMT2AL3MBTL1
SCHEMBL650477 0.69 KMT2A (0.34) KMT2ACNR2
SCHEMBL648095 0.68 LPAR1 (0.40) KMT2A

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 6 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
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed