SCHEMBL651341

SCHEMBL651341

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.42
LPAR1 Q92633 2/20 0.37
LPAR5 Q9H1C0 2/20 0.37
LTA4H P09960 1/20 0.36
PIN1 Q13526 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
C5AR1 P21730 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
SCHEMBL649676 0.94 CRHR1 (0.41) CRHR1C5AR1
SCHEMBL650027 0.93 CRHR1 (0.40) CRHR1LPAR1LPAR5PIN1LTB4R2
SCHEMBL1913039 0.92 CRHR1 (0.47) CRHR1LPAR1LPAR5LTA4HPIN1
SCHEMBL652369 0.92 CRHR1 (0.40) CRHR1LPAR1LPAR5
SCHEMBL648691 0.87 RORC (0.41) CRHR1C5AR1
SCHEMBL649162 0.85 CRHR1 (0.46) CRHR1LTA4HC5AR1
SCHEMBL650306 0.85 CRHR1 (0.38) CRHR1LPAR1LPAR5C5AR1
SCHEMBL648626 0.85 PIN1 (0.38) CRHR1LPAR1LPAR5PIN1
SCHEMBL650510 0.84 PIN1 (0.41) CRHR1PIN1C5AR1
SCHEMBL648135 0.84 CRHR1 (0.44) CRHR1LPAR1LPAR5

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