SCHEMBL650145

SCHEMBL650145

CCCCC(c1cnc(-c2ccccc2)n1CCCC)N(CCCC)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
AGTR1 P30556 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.35
TBXA2R P21731 1/20 0.35
TSHR P16473 1/20 0.35
AGTR2 P50052 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL5135309 0.91 TLR7 (0.41)
SCHEMBL650955 0.90 LPAR1 (0.41) LPAR1LPAR5AGTR1L3MBTL1KDM4E
SCHEMBL5135244 0.88 KDM4E (0.35) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL5136262 0.87 TLR7 (0.41)
SCHEMBL5137573 0.87 CXCR3 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5071417 0.87 TSHR (0.39) KDM4EALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL5136624 0.86 TSHR (0.40) KDM4EALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL5136261 0.86 TSHR (0.35) AGTR1MEN1KMT2ATSHRAGTR2
SCHEMBL649271 0.86 AGTR1 (0.42) LPAR1LPAR5AGTR1L3MBTL1KDM4E
SCHEMBL5136829 0.84 TSHR (0.39) L3MBTL1KDM4EALDH1A1MEN1KMT2A

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 9 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
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP 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
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed