SCHEMBL28409641

SCHEMBL28409641

CN1c2ccccc2OC[C@@H](N)C1C=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ RIPK1 Q13546 3/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34

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 SCHEMBL29080929 0.99 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ARIPK1CHRNB4
SCHEMBL27312472 0.78 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ACHRNB4CHRNA3
SCHEMBL23189236 0.77 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2ACHRNB4CHRNA3
Hydrochloric Acid SCHEMBL28405245 0.76 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ACHRNB4CHRNA3
SCHEMBL1561552 0.71 RIPK1 (0.47) RIPK1
SCHEMBL1561554 0.71 RIPK1 (0.47) RIPK1
SCHEMBL4704981 0.71 RIPK1 (0.47) RIPK1
SCHEMBL680143 0.71 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2ACHRNB4CHRNA3
SCHEMBL15222055 0.71 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2ACHRNB4CHRNA3
Hydrochloric Acid SCHEMBL2234458 0.70 RIPK1 (0.46) RIPK1

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
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 — — CN disclosed
CN-112979660-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-06-18 — — CN disclosed
CN-107849023-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-03-23 — — CN disclosed
CN-111269221-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2020-06-12 — — CN disclosed
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