SCHEMBL11452002

SCHEMBL11452002

COc1cc2c(cc1OC)C(c1ccsc1)CNCC2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.57
DRD5 P21918 4/20 0.57
HTR2A P28223 9/20 0.52
HTR2C P28335 9/20 0.52
HTR2B P41595 9/20 0.52
MAPK1 P28482 1/20 0.51
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.45
MAOA P21397 1/20 0.45
ADCY5 O95622 1/20 0.44

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
SCHEMBL10692418 0.92 HTR2A (0.62) DRD1DRD5HTR2AHTR2CHTR2B
SCHEMBL7621209 0.82 DRD1 (0.81) DRD1DRD5MAPK1KMT2AMEN1
SCHEMBL7620194 0.82 DRD1 (0.81) DRD1DRD5MAPK1KMT2AMEN1
SCHEMBL7320752 0.82 DRD1 (0.81) DRD1DRD5MAPK1KMT2AMEN1
SCHEMBL11454381 0.81 DRD1 (0.67) DRD1DRD5MAPK1ALDH1A1ADCY5
Bromide SCHEMBL11452838 0.80 DRD1 (0.67) DRD1DRD5MAPK1ALDH1A1ADCY5
SCHEMBL11452004 0.79 DRD1 (0.55) DRD1DRD5HTR2AHTR2CHTR2B
SCHEMBL10690380 0.78 DRD1 (0.71) DRD1DRD5MAPK1ALDH1A1ADCY5
SCHEMBL11609656 0.78 DRD1 (0.60) DRD1DRD5HTR2AHTR2CHTR2B
Bromide SCHEMBL10691988 0.77 DRD1 (0.72) DRD1DRD5MAPK1ALDH1A1ADCY5

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-4187314-A DOPAMINERGIC ACTIVITY SMITHKLINE CORPORATION (US) 1980-02-05 US disclosed
US-4111957-A DOPAMINERGIC SMITHKLINE CORPORATION (US) 1978-09-05 US disclosed