SCHEMBL8758324

SCHEMBL8758324

CN(C)c1ccccc1Cn1cc(CCN)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 13/20 0.53
▸ HTR2A P28223 1/20 0.52
▸ HRH1 P35367 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SCN9A Q15858 1/20 0.40

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
SCHEMBL28268916 0.79 TAAR1 (0.54) HTR6HTR2AHRH1POLBKMT2A
SCHEMBL8758329 0.79 HTR2A (0.53) HTR6HTR2AHRH1POLBKMT2A
SCHEMBL28811759 0.79 HTR6 (0.59) HTR6HTR2AHRH1POLBSCN9A
SCHEMBL9502361 0.79 CYP19A1 (0.57) HTR6HTR2APOLBKMT2A
SCHEMBL4731450 0.77 POLB (0.68) HTR6HTR2AHRH1POLBKMT2A
SCHEMBL31595698 0.77 POLB (0.68) HTR6HTR2AHRH1POLBKMT2A
SCHEMBL4535061 0.76 HTR2A (0.65) HTR6HTR2AHRH1KMT2ASCN9A
SCHEMBL8758275 0.76 HTR6 (0.67) HTR6HTR2A
Hydrochloric Acid SCHEMBL7674266 0.76 POLB (0.67) HTR6HTR2AHRH1POLBKMT2A
SCHEMBL3842121 0.75 TAAR1 (0.54) HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623138-B1 NEW ADENOSINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UNION PHARMA SCIENT APPL (FR) 1997-05-21 — — EP disclosed
US-5480983-A ANALGESICS, HYPOTENSIVE AGENTS LABORATOIRES UPSA (FR) 1996-01-02 — — US disclosed
EP-0623138-A1 NEW ADENOSINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. UNION PHARMA SCIENT APPL (FR) 1994-11-09 — — EP disclosed
WO-1993014102-A1 NEW ADENOSINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRES UPSA (FR) 1993-07-22 — — WO disclosed
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