SCHEMBL649714

SCHEMBL649714

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
CRHR1 P34998 4/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DHFR P00374 6/20 0.36
CNR2 P34972 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TYMS P04818 1/20 0.35
ICMT O60725 1/20 0.34
CNR1 P21554 1/20 0.34
NTRK1 P04629 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
SCHEMBL648196 0.94 C5AR1 (0.43) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL651695 0.93 DHFR (0.41) C5AR1TSHRKDM4EALDH1A1DHFR
SCHEMBL648384 0.92 C5AR1 (0.41) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL648114 0.91 C5AR1 (0.43) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL1912971 0.91 C5AR1 (0.39) C5AR1CRHR1TSHRALDH1A1DHFR
SCHEMBL651879 0.90 C5AR1 (0.43) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL5136944 0.90 C5AR1 (0.44) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL652017 0.89 C5AR1 (0.43) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL648816 0.89 C5AR1 (0.60) C5AR1TSHRKDM4EALDH1A1
SCHEMBL5136901 0.89 C5AR1 (0.46) C5AR1CRHR1TSHRKDM4EALDH1A1

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