SCHEMBL648638

SCHEMBL648638

CCc1cccc(CC)c1-c1nc(Cl)c(CN(CC2CCCCC2)C(C)(C)C)n1CCOC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PTGER4 P35408 1/20 0.32
ATM Q13315 1/20 0.31
CRHR1 P34998 1/20 0.31
CNR1 P21554 2/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL650302 0.89 CCR4 (0.32) KMT2AMEN1CRHR1
SCHEMBL648585 0.80 CRHR1 (0.34) CRHR1
SCHEMBL650433 0.77 CRHR1 (0.36) CRHR1
SCHEMBL5929248 0.76 KDM4E (0.33) KMT2AMEN1CNR1
SCHEMBL5929010 0.75 ALDH1A1 (0.35) PTGER4
SCHEMBL1912823 0.73 ALDH1A1 (0.47) PTGER4
SCHEMBL651107 0.73 TSHR (0.38) KMT2AMEN1KCNH2
SCHEMBL1913115 0.71 USP2 (0.38) KMT2AMEN1PTGER4CRHR1
SCHEMBL5929191 0.71 KDM4E (0.52) KMT2AMEN1
SCHEMBL5929075 0.70 PDCD1 (0.31)

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