SCHEMBL9205912

SCHEMBL9205912

CC(c1c[nH]c2ccc(Cc3ccccc3)cc12)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.47
▸ GABRB2 P47870 4/20 0.47
▸ GABRB1 P18505 1/20 0.46
▸ GABRA3 P34903 1/20 0.46
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SRC P12931 3/20 0.41
▸ GPR84 Q9NQS5 3/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ FFAR1 O14842 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL38657787 0.80 HTR1D (0.61) MEN1KMT2ASRCGAA
SCHEMBL9095022 0.78 MEN1 (0.40) MEN1KMT2ALMNAHTR2C
SCHEMBL6843293 0.77 HTR1D (0.61) MEN1KMT2ALMNAHTR2AHTR2C
SCHEMBL11486497 0.76 GPR84 (0.62) MEN1KMT2ASRCGPR84FFAR1
SCHEMBL30258034 0.76 GPR84 (0.62) MEN1KMT2ASRCGPR84FFAR1
SCHEMBL20970887 0.75 TP53 (0.46) MEN1KMT2ASRCGPR84LMNA
SCHEMBL38656762 0.74 HTR2C (0.50) MEN1KMT2ALMNAHTR2AHTR2C
SCHEMBL7871237 0.74 HTR2A (0.41) SRCGPR84FFAR1HTR2AHTR2C
Succinic Acid SCHEMBL6846369 0.74 HTR1D (0.53) GABRA1GABRB2LMNAGAAHTR2A
SCHEMBL8868836 0.73 HTR1A (0.71) HTR2AHTR2CHTR2B

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
EP-0674619-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 — — EP claimed
WO-1994014770-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 — — WO claimed
EP-0674619-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 — — EP disclosed
WO-1994014770-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 — — WO disclosed
Send feedback