SCHEMBL31008933

SCHEMBL31008933

Cc1ccc(C2(N)CCC(N)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
MAOA P21397 2/20 0.47
OPRL1 P41146 1/20 0.42

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
SCHEMBL1720309 0.83 MAOB (0.46) MAOBMAOA
Hydrochloric Acid SCHEMBL16446863 0.81 MAOB (0.48) MAOBMAOA
SCHEMBL29218857 0.80 KDM1A (0.40) MAOBMAOAOPRL1
SCHEMBL29218585 0.80 MAOB (0.48) MAOBMAOAOPRL1
SCHEMBL29218852 0.80 KDM1A (0.47) MAOBMAOAOPRL1
SCHEMBL29218544 0.80 OPRM1 (0.38) MAOBMAOAOPRL1
SCHEMBL31008897 0.79 OPRL1 (0.39) OPRL1
SCHEMBL29218643 0.79 OPRL1 (0.39) OPRL1
SCHEMBL29218720 0.79 OPRL1 (0.39) OPRL1
SCHEMBL29218804 0.79 OPRL1 (0.39) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 CN disclosed