SCHEMBL20923971

SCHEMBL20923971

COc1cc(-c2cccc(O)c2)ccc1C1CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.68
MAOA P21397 1/20 0.68
HSD17B1 P14061 6/20 0.48
HSD17B2 P37059 6/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
FYN P06241 3/20 0.47
BMPR1A P36894 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVRL1 P37023 1/20 0.44
ACVR1 Q04771 1/20 0.44
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
FPR2 P25090 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
BCHE P06276 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
SCHEMBL457300 0.85 KDM1A (0.49) KDM1AMAOAFPR2PDE4APDE4B
SCHEMBL16554269 0.83 MAOB (0.53) KDM1AMAOACYP3A4ESR1ESR2
SCHEMBL530324 0.81 KDM1A (1.00) KDM1AMAOAHSD17B1HSD17B2CYP3A4
SCHEMBL530325 0.81 KDM1A (1.00) KDM1AMAOAHSD17B1HSD17B2CYP3A4
SCHEMBL6837446 0.81 KDM1A (1.00) KDM1AMAOAHSD17B1HSD17B2CYP3A4
Hydrochloric Acid SCHEMBL527346 0.80 KDM1A (0.97) KDM1AMAOAHSD17B1HSD17B2CYP3A4
Hydrochloric Acid SCHEMBL15136850 0.80 KDM1A (0.97) KDM1AMAOAHSD17B1HSD17B2CYP3A4
SCHEMBL29431753 0.77 KDM1A (0.57) KDM1AMAOAHSD17B1HSD17B2CYP3A4
SCHEMBL29431787 0.76 HSD17B1 (0.59) KDM1AMAOAHSD17B1HSD17B2CYP3A4
SCHEMBL22954804 0.76 CYP3A4 (0.69) KDM1AMAOAHSD17B1HSD17B2CYP3A4

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-2598480-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS SA (ES) 2019-04-24 EP disclosed