SCHEMBL9533768

SCHEMBL9533768

CNC(C)(Cc1cccc(Cl)c1)C1CCSc2cc(OC)ccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CASR P41180 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TP53 P04637 1/20 0.34
CSNK1D P48730 1/20 0.34
KDR P35968 1/20 0.34
TACR1 P25103 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9536745 0.81 USP2 (0.37) TSHRKMT2AMEN1TP53ALDH1A1
SCHEMBL9533763 0.70 HTR1A (0.43) HTR1ASLC6A4
SCHEMBL10145414 0.63 LMNA (0.60) LMNA
SCHEMBL28242199 0.61 LTA4H (0.63) MAPTTSHRKMT2AMAOBTP53
SCHEMBL2222984 0.60 SMN1; SMN2 (0.44) SLC6A4KMT2AMEN1ALDH1A1
SCHEMBL11001305 0.60 KDM4E (0.44) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL14204664 0.60 ALDH1A1 (0.39) MAPTTSHRALDH1A1MAPK1
SCHEMBL3103846 0.60 SLC6A9 (0.56) HTR1ASLC6A4KDM1AMAOAMAOB
SCHEMBL5222434 0.59 SLC6A2 (0.59) SLC6A4ALDH1A1
SCHEMBL73643 0.59 PNMT (0.54) TSHRALDH1A1

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-0396620-B1 AMINOMETHYL-CHROMAN AND -THIOCHROMAN COMPOUNDS ABBOTT LABORATORIES (US) 1993-08-11 EP claimed