SCHEMBL29809159

SCHEMBL29809159

N[C@H]1CCc2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 3/20 0.45
▸ KDM1A O60341 4/20 0.40
▸ KDM1B Q8NB78 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ CYP17A1 P05093 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ SLC6A4 P31645 1/20 0.38
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL5395926 1.00 SRD5A1 (0.45) SRD5A1KDM1AKDM1BIDO1CYP17A1
SCHEMBL354134 1.00 SRD5A1 (0.45) SRD5A1KDM1AKDM1BIDO1CYP17A1
SCHEMBL30468607 1.00 SRD5A1 (0.45) SRD5A1KDM1AKDM1BIDO1CYP17A1
SCHEMBL2242353 1.00 SRD5A1 (0.45) SRD5A1KDM1AKDM1BIDO1CYP17A1
Hydrochloric Acid SCHEMBL26962651 0.98 SRD5A1 (0.44) SRD5A1KDM1AKDM1BIDO1CYP17A1
Hydrochloric Acid SCHEMBL30468609 0.98 SRD5A1 (0.44) SRD5A1KDM1AKDM1BIDO1CYP17A1
Hydrochloric Acid SCHEMBL17579695 0.98 SRD5A1 (0.44) SRD5A1KDM1AKDM1BIDO1CYP17A1
Hydrochloric Acid SCHEMBL6932003 0.98 SRD5A1 (0.44) SRD5A1KDM1AKDM1BIDO1CYP17A1
Methylamine SCHEMBL27768740 0.96 SRD5A1 (0.47) SRD5A1KDM1AKDM1BIDO1CYP17A1
SCHEMBL18289385 0.89 KDM1A (0.42) SRD5A1KDM1AKDM1BCYP17A1CYP3A4

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
EP-4725942-A1 COMPOUNDS ACTIVE ON CYCLIN D1 PATHWAY AND THEIR USE Sibylla Biotech S.p.A. (IT) 2026-04-15 — — EP disclosed
CN-118878535-A Substituted pyridotriazole compound, preparation method and application thereof 成都奥睿药业有限公司 2024-11-01 — — CN disclosed
CN-116848107-A Compounds and their use as PDE4 activators 米罗尼德有限公司 2023-10-03 — — CN disclosed
CN-116715700-A CD73 inhibitor, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-09-08 — — CN disclosed
CN-114835687-B AhR inhibitors 北京华森英诺生物科技有限公司 2023-09-05 — — CN disclosed
CN-113366008-B CD73 inhibitor, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-06-23 — — CN disclosed
CN-114835687-A AhR inhibitors 重庆华森制药股份有限公司 2022-08-02 — — CN disclosed
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