SCHEMBL5867095

SCHEMBL5867095

Cc1cc(C)c(Oc2nccc3c2CCN3)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 5/20 0.48
NOTUM Q6P988 1/20 0.32
CRHR1 P34998 3/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 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
SCHEMBL5867022 0.77 GSK3B (0.37) DRD1
SCHEMBL17224574 0.71 DRD1 (0.74) DRD1
SCHEMBL8806288 0.71 NOS3 (0.36) CRHR1GAAMEN1KMT2A
SCHEMBL18510121 0.69 NOTUM (0.42) DRD1NOTUMPARP10PARP11
SCHEMBL17224597 0.68 DRD1 (0.52) DRD1
SCHEMBL1761215 0.67 UGT2B17 (0.36) NOTUMGAAPARP10PARP11
SCHEMBL17224555 0.66 DRD1 (1.00) DRD1
SCHEMBL19153130 0.63 UHRF1 (0.41) DRD1NOTUMGAA
SCHEMBL31702541 0.62 NOTUM (0.42) DRD1NOTUM
SCHEMBL6703378 0.62 NOTUM (0.52) DRD1NOTUMPARP10PARP11

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-6992188-B1 Substituted heterocyclic derivatives PFIZER, INC. (US) 2006-01-31 US disclosed