SCHEMBL648906

SCHEMBL648906

CCCCn1c(-c2ccccc2C)nc(-c2ccccc2)c1CN(CCC(C)C)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.39
MC4R P32245 1/20 0.37
KMT2A Q03164 1/20 0.36
AGTR1 P30556 1/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR5 Q9H1C0 2/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
TLR7 Q9NYK1 2/20 0.35
FAAH O00519 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL651303 0.95 MC4R (0.37) HDAC1MC4RKMT2AAGTR1LPAR1
SCHEMBL648513 0.92 HDAC1 (0.40) HDAC1KMT2AAGTR1LPAR1LPAR5
SCHEMBL650281 0.91 AGTR1 (0.40) AGTR1LPAR1LPAR5TLR7KDM4E
SCHEMBL649425 0.90 KMT2A (0.37) MC4RKMT2AAGTR1LPAR1LPAR5
SCHEMBL650986 0.89 AGTR1 (0.35) MC4RAGTR1
SCHEMBL650060 0.88 LTB4R2 (0.38) HDAC1KMT2AAGTR1LPAR1LPAR5
SCHEMBL652332 0.88 AGTR1 (0.36) AGTR1LPAR1LPAR5
SCHEMBL648302 0.88 AGTR1 (0.38) AGTR1LPAR1LPAR5TLR7
SCHEMBL649495 0.88 TLR8 (0.36) AGTR1LPAR1LPAR5TLR7
SCHEMBL648072 0.87 AGTR1 (0.39) AGTR1TLR7KDM4EALDH1A1MAPT

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