SCHEMBL21084584

SCHEMBL21084584

CC1(c2ccc(Cl)cc2)C=C(N)C=CC1N

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
KDM1A O60341 1/20 0.37
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31

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
SCHEMBL1665012 0.86 ALDH1A1 (0.32)
SCHEMBL8657581 0.68
SCHEMBL28738892 0.63 MAOA (0.41) MAOAMAOBKDM1A
SCHEMBL31484730 0.63
Hydrochloric Acid SCHEMBL15200596 0.60 KDM1A (0.59) MAOAMAOBKDM1ASLC6A2SLC6A4
SCHEMBL4286951 0.59 DRD2 (0.33) MAOAMAOBKDM1A
SCHEMBL239743 0.57
SCHEMBL8694327 0.57
SCHEMBL1768713 0.56
SCHEMBL16474890 0.55 RAB9A (0.38) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759904-B2 Method for preparing poly(carbonate-etherimide) compound PTT GLOBAL CHEMICAL PUBLIC COMPANY LIMITED (TH) 2020-09-01 US disclosed
US-20190202980-A1 METHOD FOR PREPARING POLY(CARBONATE-ETHERIMIDE) COMPOUND PTT GLOBAL CHEMICAL PUBLIC COMPANY LIMITED (TH) 2019-07-04 US disclosed