SCHEMBL652064

SCHEMBL652064

CCCCn1c(-c2ccccc2C)nc(-c2ccc(C)cc2)c1CC(NCc1ccc(C(=O)OC)cc1)C1CCOC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
EGFR P00533 1/20 0.31
BTK Q06187 1/20 0.31
BCHE P06276 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
PIK3CA P42336 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
TACR2 P21452 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AVPR1B P47901 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
SCHEMBL653481 0.90 MERTK (0.34) EGFRBTKADORA3ADORA2B
SCHEMBL652331 0.84 DRD2 (0.35) ADORA2B
SCHEMBL651079 0.83 AGTR1 (0.34) ADORA3ADORA2B
SCHEMBL648189 0.83 DRD2 (0.34) ADORA2B
SCHEMBL652770 0.82 TLR8 (0.35)
SCHEMBL651121 0.82 MEN1 (0.34) ADORA2BMEN1KMT2A
SCHEMBL652578 0.82 AGTR1 (0.34)
SCHEMBL650291 0.81 DRD2 (0.33) ADORA2BMEN1KMT2A
SCHEMBL650685 0.81 MEN1 (0.38) ADORA3ADORA2BMEN1KMT2ASMN1; SMN2
SCHEMBL648905 0.77 RARA (0.35) MEN1NPC1RAB9AKMT2ASMN1; SMN2

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 2 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-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed