SCHEMBL652310

SCHEMBL652310

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(C(F)F)cc1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MDM2 Q00987 4/20 0.35
CRHR1 P34998 2/20 0.35
CASR P41180 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSD11B1 P28845 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33

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
SCHEMBL5136901 0.92 C5AR1 (0.46) C5AR1TSHRKDM4EALDH1A1MDM2
SCHEMBL5136579 0.89 C5AR1 (0.44) C5AR1TSHRKDM4EALDH1A1MDM2
SCHEMBL5135363 0.89 C5AR1 (0.44) C5AR1TSHRKDM4EALDH1A1MDM2
SCHEMBL1912970 0.88 C5AR1 (0.40) C5AR1TSHRKDM4EALDH1A1MDM2
SCHEMBL5137466 0.87 DHFR (0.42) C5AR1TSHRKDM4EALDH1A1HSD17B10
SCHEMBL5137404 0.86 CRHR1 (0.43) C5AR1TSHRKDM4EALDH1A1MDM2
SCHEMBL651500 0.85 C5AR1 (0.43) C5AR1TSHRKDM4EALDH1A1MDM2
SCHEMBL5136475 0.84 C5AR1 (0.46) C5AR1TSHRKDM4EALDH1A1CASR
SCHEMBL649659 0.84 CASR (0.46) C5AR1TSHRKDM4EALDH1A1CASR
SCHEMBL5137538 0.84 C5AR1 (0.46) C5AR1TSHRKDM4EALDH1A1CRHR1

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 1 patent. 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