SCHEMBL652930

SCHEMBL652930

CCCCn1c(-c2ccccc2C)nc(-c2ccc(C)cc2)c1CN(Cc1ccc(C(=O)OC)cc1)CC1CC2C=CC1C2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
AGTR1 P30556 2/20 0.32
POLB P06746 1/20 0.32
HRH1 P35367 1/20 0.31
CMKLR1 Q99788 1/20 0.31
DRD2 P14416 1/20 0.31
TBXA2R P21731 1/20 0.31
LTB4R2 Q9NPC1 2/20 0.30

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
SCHEMBL651087 0.92 LTB4R2 (0.34) AGTR1LTB4R2
SCHEMBL648072 0.86 AGTR1 (0.39) ALDH1A1AGTR1POLBDRD2TBXA2R
SCHEMBL651080 0.86 MEN1 (0.38) KMT2AMEN1ALDH1A1LMNAAGTR1
SCHEMBL648302 0.86 AGTR1 (0.38) AGTR1CMKLR1DRD2TBXA2RLTB4R2
SCHEMBL652332 0.86 AGTR1 (0.36) AGTR1CMKLR1DRD2TBXA2RLTB4R2
SCHEMBL650986 0.85 AGTR1 (0.35) AGTR1CMKLR1DRD2TBXA2RLTB4R2
SCHEMBL649495 0.85 TLR8 (0.36) AGTR1CMKLR1DRD2TBXA2R
SCHEMBL652771 0.84 TLR8 (0.36) AGTR1CMKLR1DRD2TBXA2R
SCHEMBL651303 0.84 MC4R (0.37) KMT2AAGTR1CMKLR1DRD2TBXA2R
SCHEMBL650685 0.84 MEN1 (0.38) KMT2AMEN1ALDH1A1LMNAAGTR1

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