SCHEMBL10516752

SCHEMBL10516752

CC(C)N(CCC(C#N)(Cc1ccccn1)c1ccc(-c2ccccc2)cc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
PGR P06401 1/20 0.44
THRB P10828 1/20 0.44
ADRB3 P13945 1/20 0.44
OPRK1 P41145 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDE3A Q14432 1/20 0.44
SLC47A1 Q96FL8 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CTSK P43235 1/20 0.34

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
SCHEMBL10516737 0.93 CYP3A4 (0.50) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL11472302 0.85 EBP (0.39) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL11470978 0.81 OPRM1 (0.48) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL10515340 0.80 TDP1 (0.39) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL10653133 0.78 CYP3A4 (0.53) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL11469619 0.78 CYP3A4 (0.34) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL11532046 0.77 CYP2D6 (0.46) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL10516235 0.77 TSHR (0.54) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL11537649 0.76 KCNH2 (0.55) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL11480207 0.74 KCNA3 (0.46) KCNH2CYP3A4RAB9ALMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175319-B1 HEXAHYDROINDOLIZINONES G.D. Searle & Co. (US) 1989-12-06 EP disclosed
EP-0175319-A1 Hexahydroindolizinones G.D. Searle & Co. (US) 1986-03-26 EP disclosed
US-4567270-A Hexahydroindolizinones useful for treating cardiac arrhythmia, thrombotic disorders in mammals G. D. SEARLE & CO. (US) 1986-01-28 US disclosed