SCHEMBL11328613

SCHEMBL11328613

C[S+]([O-])c1ccc2c(c1)CNCCC2

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 9/20 0.43
▸ ADRA2A P08913 3/20 0.41
▸ ADRA2B P18089 2/20 0.41
▸ ADRA2C P18825 2/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
Hydrochloric Acid SCHEMBL11478357 0.89 PNMT (0.51) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL11339773 0.81 PNMT (0.44) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL11331794 0.80 PNMT (0.38) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL10564473 0.80 HTR2C (0.48) PNMTADRA2AADRA2BADRA2CDRD2
Hydrochloric Acid SCHEMBL10351372 0.78 HTR2C (0.47) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL21254761 0.75 CA12 (0.40) —
SCHEMBL17813307 0.74 PNMT (0.47) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL11340594 0.71 PNMT (0.82) PNMTADRA2AADRA2BADRA2C
SCHEMBL25207974 0.70 PNMT (0.79) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL1849383 0.70 PNMT (0.79) PNMTADRA2AADRA2BADRA2CDRD2

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
EP-0002624-B1 2-BENZAZEPINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1981-10-14 — — EP disclosed
EP-0002624-A1 2-Benzazepine compounds, processes for their preparation and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-06-27 — — EP disclosed
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