SCHEMBL21101606

SCHEMBL21101606

O=C(NC1CC1c1ccccc1)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
KDM1A O60341 7/20 0.53
CNR1 P21554 1/20 0.51
EPHX2 P34913 6/20 0.50
TLR2 O60603 3/20 0.49
TLR1 Q15399 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAOB P27338 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL15541914 1.00 SMN1; SMN2 (0.63) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL23653279 1.00 SMN1; SMN2 (0.63) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL28949881 0.83 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL19609160 0.82 KDM1A (0.48) SMN1; SMN2NPSR1KDM1AEPHX2MAOB
SCHEMBL6153775 0.80 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL7980208 0.80 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL3457343 0.80 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL6154005 0.80 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL15541004 0.80 PGR (0.48) SMN1; SMN2NPSR1CNR1
SCHEMBL15716012 0.79 KDM1A (0.44) SMN1; SMN2NPSR1KDM1AEPHX2TLR2

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
CN-106488915-B Cyclopropylamines as LSD1 inhibitors 因赛特公司 2020-10-02 CN disclosed
EP-2688568-B1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-06-19 EP disclosed
CN-108779096-A A kind of fluorine-substituted cyclopropylamine class compound and preparation method thereof, pharmaceutical composition and purposes 中国科学院上海药物研究所 2018-11-09 CN disclosed