SCHEMBL29523978

SCHEMBL29523978

COC(=O)[C@@H]1C[C@@H](Oc2ccc(C)cc2)CN1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.53
P2RX3 P56373 1/20 0.46
PIM1 P11309 1/20 0.42
KCNH2 Q12809 6/20 0.40
CCKBR P32239 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL6769372 0.87 P2RX3 (0.46) HRH3P2RX3PIM1KCNH2EPHX2
SCHEMBL12442660 0.87 HRH3 (0.52) HRH3P2RX3PIM1KCNH2EPHX2
SCHEMBL29523531 0.87 HRH3 (0.52) HRH3P2RX3PIM1KCNH2EPHX2
SCHEMBL27483408 0.87 P2RX3 (0.57) HRH3P2RX3PIM1KCNH2
SCHEMBL6769375 0.87 P2RX3 (0.46) HRH3P2RX3PIM1KCNH2EPHX2
SCHEMBL8342318 0.87 P2RX3 (0.57) HRH3P2RX3PIM1KCNH2
SCHEMBL23260557 0.87 HRH3 (0.50) HRH3P2RX3PIM1
SCHEMBL951361 0.87 HRH3 (0.50) HRH3P2RX3PIM1
SCHEMBL950955 0.87 HRH3 (0.50) HRH3P2RX3PIM1
SCHEMBL3961763 0.87 HRH3 (0.50) HRH3P2RX3PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
CN-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 CN disclosed
WO-2022066774-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-03-31 WO disclosed