SCHEMBL20054870

SCHEMBL20054870

COCNCC1(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.50
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DPP4 P27487 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
KCNA3 P22001 2/20 0.40
CNR1 P21554 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40

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
SCHEMBL8229096 0.77 MEN1 (0.48) SLC6A4ALDH1A1MEN1KMT2ALMNA
SCHEMBL22876868 0.76 SLC6A4 (0.50) SLC6A4MAOAMAOBTAAR1TSHR
SCHEMBL19402984 0.75 MAOA (0.54) SLC6A4MAOAMAOBTAAR1CHRM2
SCHEMBL1409709 0.75 SLC6A4 (0.81) SLC6A4MAOAMAOBTAAR1SLC6A2
SCHEMBL13573944 0.72 MAOA (0.50) SLC6A4MAOAMAOBTAAR1CHRM2
SCHEMBL8223421 0.71 MEN1 (0.55) SLC6A4TSHRHTTCHRM2CHRM1
SCHEMBL13539472 0.70 SLC6A4 (0.58) SLC6A4MAOAMAOBTAAR1TSHR
SCHEMBL16839035 0.68 GAA (0.48) SLC6A4TSHRHTTCHRM2CHRM1
SCHEMBL12745074 0.68 SLC6A4 (0.89) SLC6A4DPP4SLC6A2SLC6A3LMNA
SCHEMBL14359682 0.68 DPP4 (0.52) SLC6A4MAOAMAOBTAAR1CHRM2

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
EP-3327027-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF Pfizer Inc (US) 2018-05-30 EP disclosed
EP-2780039-B9 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2018-04-18 EP disclosed