SCHEMBL28086157

SCHEMBL28086157

O=C(Cl)OC(c1ccccc1)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
GAA P10253 1/20 0.50
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 5/20 0.47
CYP2C9 P11712 5/20 0.47
CYP2C19 P33261 5/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 4/20 0.47
KCNA5 P22460 4/20 0.47
KCNH2 Q12809 4/20 0.47
KCNE1 P15382 1/20 0.46
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.41
ATM Q13315 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
Hydrochloric Acid SCHEMBL28314858 0.98 LMNA (0.54) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL27999947 0.98 GAA (0.53) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL28049253 0.97 LMNA (0.47) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL27995211 0.87 ATM (0.41) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL27968133 0.86 ATM (0.38) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL28816744 0.86 MEN1 (0.51) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL28822692 0.85 GAA (0.40) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL28299375 0.84 KCNA3 (0.43) LMNAGAAALDH1A1CYP1A2CYP3A4
SCHEMBL28013981 0.84 LMNA (0.40) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL4961610 0.83 LMNA (0.51) LMNAGAAKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074848-B Pyrrolidine compounds GlaxoSmithKline Intellectual Property Development Ltd. (GB) 2019-11-01 CN disclosed
CN-110234638-A Heteroaryl phenoxy benzamide KAPPA opiates ligand 辉瑞大药厂 2019-09-13 CN disclosed
CN-105431420-B Diheteroaryl compounds and uses thereof 豪夫迈·罗氏有限公司 2019-08-13 CN disclosed
CN-107531714-B Imidazopyrazines ketone as PDE1 inhibitor H.隆德贝克有限公司 2019-07-19 CN disclosed
CN-110003178-A Two heteroaryl compounds and application thereof 豪夫迈·罗氏有限公司 2019-07-12 CN disclosed
CN-107074849-A Novel compounds 葛兰素史密斯克莱知识产权发展有限公司 2017-08-18 CN disclosed
CN-103717589-B For treating or prevent the compound of respiratory syncytial virus disease 弗·哈夫曼-拉罗切有限公司 2016-08-17 CN disclosed