SCHEMBL650685

SCHEMBL650685

CCCCn1c(-c2ccccc2C)nc(-c2ccc(C)cc2)c1CN(Cc1ccc(C(=O)OC)cc1)CC1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
TRPV4 Q9HBA0 1/20 0.34
OXTR P30559 2/20 0.33
AVPR1A P37288 2/20 0.33
CSF1R P07333 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH1 P35367 1/20 0.33
HDAC1 Q13547 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
CMKLR1 Q99788 1/20 0.32
AGTR1 P30556 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 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
SCHEMBL651080 0.90 MEN1 (0.38) MEN1ALDH1A1KMT2ALMNAOXTR
SCHEMBL648072 0.86 AGTR1 (0.39) ALDH1A1AGTR1TLR7
SCHEMBL652332 0.86 AGTR1 (0.36) CMKLR1AGTR1
SCHEMBL648302 0.86 AGTR1 (0.38) CMKLR1AGTR1TLR7
SCHEMBL649495 0.85 TLR8 (0.36) CMKLR1AGTR1TLR7
SCHEMBL652771 0.84 TLR8 (0.36) CMKLR1AGTR1TLR7
SCHEMBL652930 0.84 KMT2A (0.34) MEN1ALDH1A1KMT2ALMNAHRH1
SCHEMBL648274 0.84 AGTR1 (0.35) CMKLR1AGTR1
SCHEMBL650986 0.84 AGTR1 (0.35) CMKLR1AGTR1
SCHEMBL651300 0.84 AGTR1 (0.35) CMKLR1AGTR1TLR7

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