SCHEMBL6825891

SCHEMBL6825891

CCC(N)(Oc1ccccc1C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 2/20 0.39
▸ KCNN4 O15554 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 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
Hydrochloric Acid SCHEMBL5245089 0.98 SCN4A (0.38) SCN4AKCNN4MEN1NPC1TSHR
SCHEMBL6823351 0.82 ESR2 (0.38) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL2763256 0.78 KCNN4 (0.39) KCNN4SMN1; SMN2ALDH1A1ALOX15TAAR1
SCHEMBL9288039 0.74 KCNN4 (0.42) KCNN4MEN1KMT2AALDH1A1ALOX15
SCHEMBL13012364 0.73 TSHR (0.43) SCN4AMEN1NPC1TSHRRAB9A
SCHEMBL29083527 0.72 DRD2 (0.40) SCN4AMEN1NPC1TSHRRAB9A
Hydrochloric Acid SCHEMBL4174062 0.72 SLC6A2 (0.38) SCN4AKCNN4TSHRKMT2ASMN1; SMN2
SCHEMBL17929073 0.72 TSHR (0.39) SCN4AMEN1NPC1TSHRRAB9A
SCHEMBL9707204 0.72 MAPK1 (0.52) SCN4AMEN1NPC1TSHRRAB9A
SCHEMBL9289408 0.72 KCNN4 (0.41) KCNN4SMN1; SMN2ALDH1A1ALOX15CYP1A2

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-1379492-A1 INHIBITOR OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-01-14 — — EP disclosed
WO-2002070457-A1 INHIBITOR OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2002-09-12 — — WO disclosed
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