SCHEMBL650027

SCHEMBL650027

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.40
PIN1 Q13526 2/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
C5AR1 P21730 1/20 0.36
TSHR P16473 1/20 0.35
MDM2 Q00987 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
NR1H3 Q13133 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
SCHEMBL651341 0.93 CRHR1 (0.42) CRHR1PIN1LTB4R2C5AR1LPAR1
SCHEMBL648691 0.93 RORC (0.41) CRHR1C5AR1TSHRNR1H3
SCHEMBL650306 0.92 CRHR1 (0.38) CRHR1C5AR1TSHRAGTR1LPAR1
SCHEMBL1913039 0.90 CRHR1 (0.47) CRHR1PIN1LTB4R2C5AR1TSHR
SCHEMBL649676 0.87 CRHR1 (0.41) CRHR1C5AR1
SCHEMBL648626 0.87 PIN1 (0.38) CRHR1PIN1MDM2LPAR1LPAR5
SCHEMBL650510 0.86 PIN1 (0.41) CRHR1PIN1C5AR1MDM2
SCHEMBL652369 0.85 CRHR1 (0.40) CRHR1AGTR1LPAR1LPAR5
SCHEMBL650214 0.85 C5AR1 (0.51) CRHR1C5AR1TSHR
SCHEMBL651627 0.84 PTGES (0.42) CRHR1LTB4R2C5AR1MDM2LPAR1

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