SCHEMBL30457500

SCHEMBL30457500

CCC(=O)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.64
GABRA1 P14867 1/20 0.59
GABRB1 P18505 1/20 0.59
GABRA3 P34903 1/20 0.59
GABRB2 P47870 1/20 0.59
LMNA P02545 2/20 0.54
RAB9A P51151 2/20 0.54
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GPR84 Q9NQS5 1/20 0.50
MITF O75030 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL25305901 1.00 NR4A2 (0.64) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL28106379 0.88 MAPT (0.50) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL1612772 0.86 LMNA (0.68) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL6714019 0.83 RAB9A (0.77) NR4A2LMNARAB9AMTNR1AMTNR1B
SCHEMBL15636289 0.82 NR4A2 (0.70) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL1612926 0.82 NR4A2 (0.69) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL5067961 0.82 ADAM17 (0.64) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL5434549 0.82 NR4A2 (0.69) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL2085712 0.82 NR4A2 (0.69) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL29647629 0.81 ALDH1A1 (0.58) LMNARAB9AMTNR1AMTNR1BALDH1A1

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-4444283-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT Tactogen Inc. (US) 2024-10-16 EP disclosed
WO-2023107715-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 WO disclosed