SCHEMBL25923925

SCHEMBL25923925

COCCN1CCC2(CC1)CC(NC1CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
HSD11B1 P28845 1/20 0.38
HTR4 Q13639 1/20 0.33
BRD4 O60885 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
KAT2B Q92831 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL25923906 0.79 KDM1A (0.46) KDM1AHSD11B1
SCHEMBL24378839 0.78 HSD11B1 (0.42) KDM1AHSD11B1CYP1A2CYP2D6ALOX15
SCHEMBL23588963 0.77 HSD11B1 (0.44) KDM1AHSD11B1HTR4CYP2D6
SCHEMBL25923937 0.76 KDM1A (0.40) KDM1AGNAI3GNAO1GNAI1CYP1A2
SCHEMBL24940732 0.76 KMT2A (0.31) KDM1A
SCHEMBL25924008 0.75 KDM1A (0.32) KDM1A
SCHEMBL21088883 0.74 KDM1A (0.44) KDM1ACYP1A2
SCHEMBL25924012 0.73 L3MBTL1 (0.45) KDM1A
SCHEMBL21088467 0.73 CNR1 (0.37) KDM1A
SCHEMBL25001376 0.72 HSD11B1 (0.38) KDM1AHSD11B1CYP1A2CYP2D6ALOX15

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
EP-3532459-B1 LSD1 INHIBITORS AND MEDICAL USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2023-08-02 EP disclosed