SCHEMBL30231809

SCHEMBL30231809

Cc1cccc(C2CN(C)CCc3c2cc(O)c(O)c3Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 16/20 1.00
▸ KDM4E B2RXH2 5/20 1.00
▸ MAPT P10636 3/20 1.00
▸ PMP22 Q01453 3/20 1.00
▸ TSHR P16473 3/20 1.00
▸ HSD17B10 Q99714 3/20 1.00
▸ ADRA2A P08913 2/20 1.00
▸ CYP2D6 P10635 2/20 1.00
▸ THPO P40225 2/20 1.00
▸ MTOR P42345 2/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ CYP1A2 P05177 1/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ KMT2A Q03164 1/20 1.00
▸ ALOX15 P16050 2/20 0.81
▸ NFKB1 P19838 1/20 0.81
▸ HIF1A Q16665 1/20 0.81
▸ MAPK1 P28482 2/20 0.80
▸ LMNA P02545 1/20 0.80
▸ DRD2 P14416 9/20 0.79

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
SCHEMBL2970804 1.00 DRD1 (1.00) DRD1KDM4EMAPTPMP22TSHR
SCHEMBL30026797 1.00 DRD1 (1.00) DRD1KDM4EMAPTPMP22TSHR
Bromide SCHEMBL29634914 0.99 DRD1 (1.00) DRD1KDM4EMAPTPMP22TSHR
Bromide SCHEMBL12610614 0.99 DRD1 (1.00) DRD1KDM4EMAPTPMP22TSHR
SCHEMBL14510734 0.90 DRD1 (0.81) DRD1KDM4EMAPTPMP22TSHR
SCHEMBL7323497 0.88 DRD1 (1.00) DRD1KDM4EMAPTPMP22TSHR
Bromide SCHEMBL29634894 0.87 DRD1 (1.00) DRD1KDM4EMAPTPMP22TSHR
Bromide SCHEMBL7320300 0.87 DRD1 (1.00) DRD1KDM4EMAPTPMP22TSHR
SCHEMBL34464664 0.87 DRD1 (0.80) DRD1KDM4EMAPTPMP22TSHR
SCHEMBL14495044 0.84 DRD1 (0.72) DRD1KDM4EMAPTPMP22TSHR

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
WO-2023101866-A1 FENFLURAMINE FOR TREATMENT OF CONDITIONS ASSOCIATED WITH SPREADING DEPOLARIZATION ZOGENIX INTERNATIONAL LIMITED (GB) 2023-06-08 — — WO disclosed
WO-2023006412-A1 SIGMA-1 RECEPTOR ACTIVATOR FOR USE IN THE TREATMENT OF A PATHOLOGY ASSOCIATED WITH WFS1 MUTATION UNIVERSITÉ DE MONTPELLIER (FR) 2023-02-02 — — WO disclosed
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