SCHEMBL10697410

SCHEMBL10697410

NCC1CC(c2ccccc2)CC(Oc2ccc(Cl)cc2)O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.40
SLC6A2 P23975 5/20 0.40
SLC6A3 Q01959 5/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM1A O60341 2/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34
HTR2C P28335 5/20 0.33
HTR2B P41595 4/20 0.33
HTR2A P28223 3/20 0.33
IDO1 P14902 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL10697433 0.84 IDO1 (0.36) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL9876363 0.77 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL9876395 0.75 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3KDM1AMAOB
SCHEMBL9876253 0.72 EPHX2 (0.33) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL9876112 0.65 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL9876114 0.65 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL10178470 0.65 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3MAOBHTR2C
SCHEMBL10177764 0.62 HTR2C (0.53) SLC6A4SLC6A2SLC6A3KDM1AALDH1A1
SCHEMBL16234301 0.62 HTR2C (0.53) SLC6A4SLC6A2SLC6A3KDM1AALDH1A1
SCHEMBL10177774 0.62 HTR2C (0.53) SLC6A4SLC6A2SLC6A3KDM1AALDH1A1

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-0254078-A1 Pyran derivatives BASF Aktiengesellschaft (DE) 1988-01-27 EP disclosed