SCHEMBL648585

SCHEMBL648585

CCCCn1c(-c2c(C)cccc2C)nc(Cl)c1CN(CC1CCCCC1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.34
CNR2 P34972 4/20 0.33
BACE1 P56817 1/20 0.33
TLR8 Q9NR97 2/20 0.32
NPY1R P25929 4/20 0.31
CCR4 P51679 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL651362 0.89 CRHR1 (0.35) CRHR1CNR2BACE1TLR8CCR4
SCHEMBL648638 0.80 KMT2A (0.32) CRHR1
SCHEMBL5928902 0.73 TLR8 (0.43) TLR8LMNA
SCHEMBL5929077 0.72 TLR8 (0.42) TLR8
SCHEMBL650625 0.72 MEN1 (0.44) ALDH1A1
SCHEMBL650302 0.70 CCR4 (0.32) CRHR1CCR4
SCHEMBL5929251 0.70 CFB (0.40) CRHR1ALDH1A1LMNA
SCHEMBL649555 0.69 SMN1; SMN2 (0.35) CRHR1CNR2TLR8ALDH1A1LMNA
SCHEMBL651501 0.68 C5AR1 (0.44) CRHR1ALDH1A1LMNAHPGDTDP1
SCHEMBL650781 0.68 KMT2A (0.37) CNR2TLR8ALDH1A1

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