SCHEMBL6348690

SCHEMBL6348690

CCc1nc(-c2cc3c(cc2OC)CCC3)c(CC)nc1Nc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.42
GRM5 P41594 2/20 0.40
ULK1 O75385 2/20 0.38
PTK2 Q05397 2/20 0.38
QRFPR Q96P65 1/20 0.37
IGF1R P08069 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL6174182 0.88 CRHR1 (0.42) CRHR1
SCHEMBL6173768 0.82 CRHR1 (0.47) CRHR1
SCHEMBL6342774 0.78 CRHR1 (0.48) CRHR1
SCHEMBL6167996 0.78 CRHR1 (0.48) CRHR1
SCHEMBL6172799 0.77 CRHR1 (0.50) CRHR1
SCHEMBL6167691 0.77 CRHR1 (0.65) CRHR1
SCHEMBL6347154 0.76 CRHR1 (0.48) CRHR1
SCHEMBL6346265 0.76 CRHR1 (0.48) CRHR1
SCHEMBL6345711 0.76 CRHR1 (0.53) CRHR1
SCHEMBL6351576 0.76 CRHR1 (0.53) CRHR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6964965-B2 Substituted pyrazine derivatives PHARMACIA & UPJOHN (US) 2005-11-15 US claimed