SCHEMBL9876879

SCHEMBL9876879

O=C(Cn1ncc(-c2ccccc2)c1-c1ccccc1)NCCN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.48
PTGIR P43119 2/20 0.48
KMT2A Q03164 4/20 0.48
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.46
MEN1 O00255 3/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL9877032 0.99 ALDH1A1 (0.48) ALDH1A1L3MBTL1TSHRPTGIRKMT2A
SCHEMBL9876895 0.93 TP53 (0.54) ALDH1A1PTGIRKMT2ATP53MEN1
SCHEMBL10359074 0.92 ACHE (0.53) ALDH1A1PTGIRKMT2AHTTTP53
Water SCHEMBL9877617 0.91 ACHE (0.53) ALDH1A1PTGIRKMT2AHTTTP53
SCHEMBL9877935 0.82 PTGIR (0.53) ALDH1A1PTGIRKMT2ATP53POLB
SCHEMBL10401522 0.81 ACKR3 (0.53) PTGIRMAPTGAA
SCHEMBL9877283 0.80 PTGIR (0.51) PTGIRTP53RAB9A
SCHEMBL15495563 0.80 TSHR (0.47) ALDH1A1L3MBTL1TSHRKMT2AHTT
Water SCHEMBL9878580 0.80 KMT2A (0.60) ALDH1A1L3MBTL1TSHRKMT2ATP53
Water SCHEMBL9877241 0.79 LMNA (0.51) ALDH1A1PTGIRKMT2AMEN1RAB9A

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