SCHEMBL20267367

SCHEMBL20267367

O=C(OC(=O)N1CCNCC1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.62
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
OPRD1 P41143 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
F2 P00734 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
ABCC1 P33527 1/20 0.41

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
SCHEMBL20267398 0.84 KMT2A (0.64) KMT2AMEN1POLBUSP2ALDH1A1
SCHEMBL17560638 0.84 HRH3 (0.45) SIGMAR1KMT2AMEN1OPRD1
SCHEMBL11476095 0.83 KMT2A (0.67) KMT2AMEN1POLBUSP2ALDH1A1
SCHEMBL11236018 0.83 KMT2A (0.50) SIGMAR1KMT2AMEN1USP2ALDH1A1
SCHEMBL22031536 0.80 SIGMAR1 (0.40) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL20267172 0.80 KMT2A (0.53) KMT2AMEN1POLBTSHRCASP3
SCHEMBL20267432 0.80 KMT2A (0.68) KMT2AMEN1POLBTSHRCASP3
SCHEMBL27876101 0.79 KMT2A (0.51) KMT2AMEN1POLBALDH1A1HSD17B10
SCHEMBL7958970 0.79 SIGMAR1 (0.42) SIGMAR1KMT2AMEN1CASP3SENP7
SCHEMBL28214603 0.78 RXFP1 (0.47) SIGMAR1KMT2AMEN1POLBALDH1A1

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-3551633-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 EP claimed
WO-2018108230-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO claimed
WO-2023081452-A1 SMALL-MOLECULE DEGRADERS OF CDK8 AND CDK19 UNIVERSITY OF SOUTH CAROLINA (US) 2023-05-11 WO disclosed
CN-104379578-B Carbamate compounds and its preparation and application 阿比德治疗公司 2017-06-09 CN disclosed