SCHEMBL9877607

SCHEMBL9877607

O=C(Cn1cc(-c2ccccc2)c(-c2ccccc2)n1)NCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.48
PTGIR P43119 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
ACHE P22303 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.44
HTR3A P46098 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
RAB9A P51151 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
SCHEMBL9877217 0.94 ACHE (0.54) KMT2AMEN1PTGIRCYP3A4GAA
SCHEMBL9877663 0.77 PTGIR (0.47) PTGIRALOX15ALDH1A1RAB9A
SCHEMBL9877271 0.76 GFER (0.50) KMT2AMEN1PTGIRGAACYP2D6
SCHEMBL9877398 0.76 MEN1 (0.53) KMT2AMEN1PTGIRGAAPOLB
SCHEMBL9877032 0.76 ALDH1A1 (0.48) KMT2AMEN1PTGIRCYP3A4GAA
SCHEMBL9876879 0.74 ALDH1A1 (0.48) KMT2AMEN1PTGIRCYP3A4GAA
SCHEMBL9877477 0.73 PTGIR (0.67) KMT2AMEN1PTGIRGAAMAPT
SCHEMBL10359074 0.72 ACHE (0.53) KMT2AMEN1PTGIRCYP3A4GAA
Water SCHEMBL9877617 0.71 ACHE (0.53) KMT2AMEN1PTGIRCYP3A4GAA
SCHEMBL15498114 0.70 TSHR (0.47) KMT2AMEN1CYP3A4GAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988725-A Cardiovascular disorders, antiarrhythmia agents STERLING DRUG INC. (US) 1991-01-29 US disclosed
EP-0299407-B1 1H-PYRAZOLE-1-ALKANAMIDES AND PREPARATION USEFUL AS ANTIARRHYTHMIC AGENTS STERLING DRUG INC. (US) 1990-10-24 EP disclosed
EP-0388690-A1 Azole-1-alkanamides as antiarrhytmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
EP-0388654-A2 Azole-1-alkanamides as antiarrhythmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
US-4916150-A 1H-pyrazole-1-alkanamines antiarrhythmic compositions and use STERLING DRUG INC. (US) 1990-04-10 US disclosed
US-4898880-A N-(heterocycle)alkyl)-1H-pyrazole-1-alkanamides as antiarrhythmic agents, compositions and use STERLING DRUG INC. (US) 1990-02-06 US disclosed
US-4870095-A 1H-pyrazole-1-alkanamides, antiarrhythmic compositions and use STERLING DRUG, INC. (US) 1989-09-26 US disclosed
EP-0299407-A1 1H-pyrazole-1-alkanamides and preparation useful as antiarrhythmic agents STERLING DRUG INC. (US) 1989-01-18 EP disclosed