SCHEMBL30782913

SCHEMBL30782913

CNCC1CCCc2c(-c3ccc(C#N)cc3)cccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 14/20 0.46
CYP11B1 P15538 12/20 0.46
HRH3 Q9Y5N1 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
LAP3 P28838 1/20 0.41

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 SCHEMBL30782888 0.99 CYP11B2 (0.46) CYP11B2CYP11B1HRH3ADRA2AADRA2B
SCHEMBL23641227 0.81 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL30782881 0.80 SLC6A4 (0.41) CYP11B2CYP11B1HRH3ADRA2AADRA2B
Hydrochloric Acid SCHEMBL30782892 0.77 TAAR1 (0.41) CYP11B2CYP11B1HRH3ADRA2AADRA2B
Hydrochloric Acid SCHEMBL30782839 0.77 TAAR1 (0.41) CYP11B2CYP11B1HRH3ADRA2AADRA2B
Hydrochloric Acid SCHEMBL30782891 0.77 SLC6A4 (0.41) HRH3ADRA2AADRA2BADRA2CADRA1D
SCHEMBL19831763 0.75 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL30782874 0.73 CYP11B2 (0.41) CYP11B2CYP11B1HRH3LAP3
SCHEMBL22905344 0.72 KDM4C (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9520419 0.71 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A

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-4593954-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI Drug Discovery LLC (US) 2025-08-06 EP disclosed
WO-2024073383-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2024-04-04 WO disclosed