SCHEMBL11327051

SCHEMBL11327051

Nc1cccc2c1CNCCC2

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CD44 P16070 2/20 0.62
▸ PNMT P11086 5/20 0.50
▸ PRCP P42785 1/20 0.45
▸ HTR2C P28335 2/20 0.40
▸ MAOB P27338 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ PARP1 P09874 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
SCHEMBL3659651 0.89 CD44 (0.72) CD44PNMTPRCPHTR2CMAOB
SCHEMBL30156803 0.89 CD44 (0.72) CD44PNMTPRCPHTR2CMAOB
Hydrochloric Acid SCHEMBL4516826 0.87 CD44 (0.70) CD44PNMTPRCPHTR2CMAOB
SCHEMBL29805405 0.78 CD44 (0.68) CD44PNMTPRCPMAOBPARP1
SCHEMBL329619 0.78 CD44 (0.68) CD44PNMTPRCPMAOBPARP1
SCHEMBL11327500 0.78 PNMT (0.50) CD44PNMTPRCPHTR2CMAOB
SCHEMBL11331868 0.78 PNMT (0.79) CD44PNMTPRCPHTR2CHTR2B
SCHEMBL19684566 0.78 PNMT (0.50) CD44PNMTPRCPHTR2CMAOB
SCHEMBL11597488 0.78 BCL2L1 (0.60) CD44PNMTPRCPHTR2C
SCHEMBL14692360 0.78 PNMT (0.50) CD44PNMTPRCPHTR2CMAOB

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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