SCHEMBL7835291

SCHEMBL7835291

COc1ccccc1OC(CCl)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.62
SLC6A4 P31645 7/20 0.62
SLC6A3 Q01959 7/20 0.62
KMT2A Q03164 4/20 0.62
CYP1A2 P05177 4/20 0.62
CYP3A4 P08684 4/20 0.62
CYP2D6 P10635 4/20 0.62
TSHR P16473 3/20 0.62
MEN1 O00255 2/20 0.62
CYP2C19 P33261 1/20 0.62
PMP22 Q01453 2/20 0.60
SLC6A9 P48067 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CHRM1 P11229 2/20 0.43

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
SCHEMBL9772801 0.86 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KMT2ACYP1A2
SCHEMBL6725319 0.86 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KMT2ACYP1A2
SCHEMBL19668660 0.82 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3KMT2ACYP1A2
SCHEMBL5306302 0.79 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KMT2ACYP1A2
Hydrochloric Acid SCHEMBL7306045 0.78 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KMT2ACYP1A2
Nisoxetine SCHEMBL3897550 0.77 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3KMT2ACYP1A2
SCHEMBL6729778 0.77 SLC6A9 (0.64) SLC6A2SLC6A4SLC6A3KMT2ACYP1A2
Nisoxetine SCHEMBL30026153 0.77 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3KMT2ACYP1A2
Nisoxetine SCHEMBL29401038 0.77 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3KMT2ACYP1A2
Nisoxetine SCHEMBL3892886 0.77 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291683-B1 AS ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-09-18 US disclosed
EP-1070050-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-24 EP disclosed
US-6121307-A SIDE EFFECT REDUCTION; ADMINISTERING TO TREAT DEPRESSION AMERICAN HOME PRODUCTS CORP. (US) 2000-09-19 US disclosed
WO-1999051575-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed