SCHEMBL650474

SCHEMBL650474

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cc(F)cc(F)c1)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
TSHR P16473 4/20 0.36
BCHE P06276 2/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 3/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
CRHR1 P34998 3/20 0.35
HDAC1 Q13547 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
P2RX7 Q99572 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CCR4 P51679 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
SCHEMBL650989 0.94 C5AR1 (0.39) C5AR1TSHRBCHEKDM4EALDH1A1
SCHEMBL5137114 0.92 C5AR1 (0.43) C5AR1TSHRBCHEKDM4EALDH1A1
SCHEMBL5137864 0.91 C5AR1 (0.44) C5AR1TSHRBCHEKDM4EALDH1A1
SCHEMBL650021 0.90 C5AR1 (0.41) C5AR1TSHRBCHEKDM4EALDH1A1
SCHEMBL5135166 0.90 C5AR1 (0.45) C5AR1TSHRBCHEKDM4EALDH1A1
SCHEMBL5135713 0.89 C5AR1 (0.44) C5AR1TSHRKDM4EALDH1A1CYP3A4
SCHEMBL651501 0.89 C5AR1 (0.44) C5AR1TSHRKDM4EALDH1A1CYP3A4
SCHEMBL5170971 0.89 C5AR1 (0.42) C5AR1TSHRBCHEKDM4EALDH1A1
SCHEMBL5134910 0.88 C5AR1 (0.44) C5AR1TSHRKDM4EALDH1A1CYP3A4
SCHEMBL5134999 0.88 C5AR1 (0.44) C5AR1TSHRBCHEKDM4EALDH1A1

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