SCHEMBL15239796

SCHEMBL15239796

C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@](O)(F)c1ccnc2ccc(OC)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.64
▸ CYP2D6 P10635 7/20 0.64
▸ ALDH1A1 P00352 5/20 0.64
▸ SLC22A1 O15245 3/20 0.64
▸ ABCB11 O95342 3/20 0.64
▸ ABCB1 P08183 3/20 0.64
▸ ADRA2A P08913 3/20 0.64
▸ SLC6A4 P31645 3/20 0.64
▸ OPRM1 P35372 3/20 0.64
▸ SCN1A P35498 3/20 0.64
▸ KCNH2 Q12809 3/20 0.64
▸ SCN2A Q99250 3/20 0.64
▸ SCN3A Q9NY46 3/20 0.64
▸ CYP3A4 P08684 3/20 0.64
▸ HSD17B10 Q99714 3/20 0.64
▸ SLC22A2 O15244 2/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ THRB P10828 1/20 0.64
▸ ABCC4 O15439 1/20 0.64

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
SCHEMBL22862890 0.91 KDM4E (0.66) KDM4ECYP2D6ALDH1A1SLC22A1ABCB11
SCHEMBL669873 0.89 CYP2D6 (0.64) KDM4ECYP2D6ALDH1A1SLC22A1ABCB11
SCHEMBL4305 0.87 CYP2D6 (0.63) KDM4ECYP2D6ALDH1A1SLC22A1ABCB11
Sulfuric Acid SCHEMBL9614123 0.85 KDM4E (0.67) KDM4ECYP2D6ALDH1A1SLC22A1ABCB11
SCHEMBL2150774 0.85 KDM4E (0.61) KDM4ECYP2D6ALDH1A1SLC22A1ABCB11
SCHEMBL29645230 0.85 CYP2D6 (0.59) KDM4ECYP2D6ALDH1A1SLC22A1ABCB11
SCHEMBL4278098 0.84 CYP2D6 (0.65) KDM4ECYP2D6ALDH1A1SLC22A1ABCB11
SCHEMBL789401 0.83 KDM4E (0.59) KDM4ECYP2D6ALDH1A1SLC22A1ABCB11
Sulfuric Acid SCHEMBL19100311 0.83 KDM4E (0.66) KDM4ECYP2D6ALDH1A1SLC22A1ABCB11
SCHEMBL1612723 0.82 CYP2D6 (0.60) KDM4ECYP2D6ALDH1A1SLC22A1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112219295-B Silicon-based lithium storage material and preparation method thereof 上海杉杉科技有限公司 2022-11-22 — — CN disclosed
CN-112244015-B Pest control composition comprising novel iminopyridine derivatives 株式会社MMAG 2022-05-17 — — CN disclosed
CN-111771885-B Pest control composition comprising novel iminopyridine derivatives 株式会社MMAG 2022-05-17 — — CN disclosed
CN-113163766-A Pest control agent composition and method of use thereof 日本农药株式会社 2021-07-23 — — CN disclosed
CN-112244015-A Pest control composition comprising novel iminopyridine derivatives 明治制果药业株式会社 2021-01-22 — — CN disclosed
CN-112219295-A Silicon-based lithium storage material and preparation method thereof 上海杉杉科技有限公司 2021-01-12 — — CN disclosed
CN-108684667-B Pest control composition comprising novel iminopyridine derivatives 明治制果药业株式会社 2020-12-01 — — CN disclosed
CN-111771885-A Pest control composition comprising novel iminopyridine derivatives 明治制果药业株式会社 2020-10-16 — — CN disclosed
WO-2017065602-A1 TREATING NEUROMUSCULAR OR NEUROLOGIC DISEASE THROUGH REDUCING GABAERGIC AND/OR GLYCINERGIC INHIBITORY NEUROTRANSMITTER OVERSTIMULATION RY PHARMA B.V. (NL) 2017-04-20 — — WO disclosed
WO-2016114655-A1 TREATING NEUROMUSCULAR OR NEUROLOGIC DISEASE THROUGH REDUCING GABAERGIC AND/OR GLYCINERGIC INHIBITORY NEUROTRANSMITTER OVERSTIMULATION RY PHARMA B.V. (NL) 2016-07-21 — — WO disclosed
US-20130237511-A1 Copper Ion Delivery Platform for Pharmaceutical Agents University System of Georgia (US) 2013-09-12 — — US disclosed
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