SCHEMBL22040872

SCHEMBL22040872

C[C@H]1CC[C@@H](C2=CCCCC2)N1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6047335 0.71
SCHEMBL23085581 0.67 KDM1A (0.40) KDM1ACYP2C9CYP2C19
SCHEMBL5668812 0.66
SCHEMBL7625537 0.66 KDM1A (0.39) KDM1A
SCHEMBL7620778 0.66 KDM1A (0.39) KDM1A
SCHEMBL933476 0.65 KDM1A (0.38) KDM1ACYP2C9CYP2C19
SCHEMBL122872 0.65 KDM1A (0.50) KDM1A
SCHEMBL14973453 0.65 KDM1A (0.50) KDM1A
SCHEMBL14973454 0.65 KDM1A (0.50) KDM1A
SCHEMBL1904517 0.65 KDM1A (0.50) KDM1A

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
WO-2020108500-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF 成都海创药业有限公司 2020-06-04 WO disclosed