SCHEMBL7363081

SCHEMBL7363081

CN1CC=C(c2c[nH]c3ccc(-c4ccccc4)cc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.71
KDM4E B2RXH2 1/20 0.70
LMNA P02545 1/20 0.70
POLB P06746 1/20 0.70
HTR1A P08908 1/20 0.70
ALOX15 P16050 1/20 0.70
HTR6 P50406 1/20 0.70
HSD17B10 Q99714 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70

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 SCHEMBL7364527 1.00 SLC6A4 (0.71) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7328027 0.87 SLC6A4 (0.63) SLC6A4KDM4ELMNAPOLBHTR1A
Hydrochloric Acid SCHEMBL9237633 0.87 SLC6A4 (0.63) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7325315 0.84 SLC6A4 (0.69) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL13323539 0.83 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL4674658 0.83 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
Hydrochloric Acid SCHEMBL11439099 0.83 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL8869768 0.82 SLC6A4 (0.75) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL8870272 0.82 SLC6A4 (0.67) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7207543 0.82 NOS3 (0.56) SLC6A4KDM4ELMNAPOLBHTR1A

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-0674620-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP claimed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO claimed
EP-0674620-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed