SCHEMBL648380

SCHEMBL648380

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc2c(c1)CCC(=O)N2)CC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.37
C5AR1 P21730 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR7 P34969 1/20 0.33
DRD3 P35462 1/20 0.33
ULK1 O75385 1/20 0.32

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
SCHEMBL648899 0.92 C5AR1 (0.40) C5AR1LMNATSHRHTR1ADRD2
SCHEMBL648290 0.89 CRHR1 (0.41) CRHR1C5AR1LMNATSHRHTR1A
SCHEMBL650520 0.89 CRHR1 (0.38) CRHR1C5AR1
SCHEMBL650310 0.85 C5AR1 (0.52) C5AR1LMNATSHR
SCHEMBL651125 0.82 CRHR1 (0.39) CRHR1C5AR1
SCHEMBL651627 0.82 PTGES (0.42) CRHR1C5AR1
SCHEMBL649536 0.81 CRHR1 (0.41) CRHR1C5AR1SLC6A4
SCHEMBL648379 0.81 LMNA (0.36) LMNATSHRHTR1ADRD2HTR2A
SCHEMBL651748 0.81 C5AR1 (0.44) C5AR1LMNATSHRHTR1ADRD2
SCHEMBL651032 0.80 CRHR1 (0.38) CRHR1C5AR1

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 5 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-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