SCHEMBL4067327

SCHEMBL4067327

Clc1cccc(C2CC[CH]CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.47
SLC6A2 P23975 3/20 0.47
ADRA1A P35348 1/20 0.44
SLC6A4 P31645 2/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
GRM2 Q14416 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD11B1 P28845 1/20 0.40
KMO O15229 1/20 0.40
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39

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
SCHEMBL29940424 0.87 SLC6A3 (0.53) SLC6A3SLC6A2ADRA1ASLC6A4HTR2A
SCHEMBL1067433 0.87 SLC6A3 (0.53) SLC6A3SLC6A2ADRA1ASLC6A4HTR2A
SCHEMBL3790814 0.83 SLC6A3 (0.50) SLC6A3SLC6A2ADRA1ASLC6A4HTR2A
SCHEMBL3786501 0.83 HDAC4 (0.52) SLC6A3SLC6A2ADRA1ASLC6A4HTR2A
SCHEMBL3783699 0.82 KMO (0.53) SLC6A3SLC6A2ADRA1ASLC6A4HTR2A
Ammonia Solution, Strong SCHEMBL7349459 0.82 SLC6A3 (0.49) SLC6A3SLC6A2ADRA1ASLC6A4HTR2A
SCHEMBL29557463 0.79 SLC6A3 (0.59) SLC6A3SLC6A2ADRA1ASLC6A4HTR2A
SCHEMBL28745939 0.79 SLC6A3 (0.59) SLC6A3SLC6A2ADRA1ASLC6A4HTR2A
SCHEMBL16233611 0.78 SLC6A2 (0.46) SLC6A3SLC6A2ADRA1ASLC6A4HTR2A
SCHEMBL8178790 0.78 ESR2 (0.47) SLC6A3SLC6A2ADRA1ASLC6A4HTR2A

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
CN-109952300-B 5-or 8-substituted imidazo [1,5-a ] pyridines 百济神州有限公司 2022-01-18 CN disclosed
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
CN-1538956-A Spiro compounds ������ҩ��ʽ���� 2004-10-20 CN disclosed