SCHEMBL29804261

SCHEMBL29804261

NC1CCc2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
ACHE P22303 8/20 0.44
KDM1A O60341 5/20 0.43
IDO1 P14902 1/20 0.40
KDM1B Q8NB78 1/20 0.38

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
SCHEMBL484695 1.00 HTR2A (0.46) HTR2AHTR2CHTR2BACHEKDM1A
SCHEMBL4014236 1.00 HTR2A (0.46) HTR2AHTR2CHTR2BACHEKDM1A
Hydrochloric Acid SCHEMBL16535589 0.98 ACHE (0.47) HTR2AHTR2CHTR2BACHEKDM1A
Methylamine SCHEMBL27747617 0.96 HTR2A (0.47) HTR2AHTR2CHTR2BACHEKDM1A
SCHEMBL3203100 0.89 ACHE (0.48) HTR2AHTR2CHTR2BACHEKDM1A
SCHEMBL3178048 0.89 ACHE (0.48) HTR2AHTR2CHTR2BACHEKDM1A
SCHEMBL15188938 0.89 ACHE (0.48) HTR2AHTR2CHTR2BACHEKDM1A
Hydrochloric Acid SCHEMBL3175686 0.87 ACHE (0.47) HTR2AHTR2CHTR2BACHEKDM1A
SCHEMBL784874 0.84 KDM1A (0.47) HTR2AHTR2CKDM1AKDM1B
SCHEMBL584522 0.84 KDM1A (0.47) HTR2AHTR2CKDM1AKDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612128-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES Bristol-Myers Squibb Company (US) 2025-09-10 EP disclosed
CN-120129677-A Compounds and their use for the treatment of heme lesions 百时美施贵宝公司 2025-06-10 CN disclosed
WO-2025108255-A1 POLYCYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2025-05-30 WO disclosed
CN-118955495-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-11-15 CN disclosed
WO-2024097932-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-10 WO disclosed
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN disclosed