SCHEMBL7862458

SCHEMBL7862458

O=C(O)[C@@H]1CCc2cc(Br)ccc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.48
SRD5A1 P18405 2/20 0.44
MAP4K4 O95819 2/20 0.44
PDE5A O76074 1/20 0.44
SRD5A2 P31213 1/20 0.42
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
TRPV1 Q8NER1 1/20 0.39
FABP4 P15090 5/20 0.38
PIN1 Q13526 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL1530402 1.00 CAMK2A (0.48) CAMK2ASRD5A1MAP4K4PDE5ASRD5A2
SCHEMBL15897038 0.90 CAMK2A (0.52) CAMK2ASRD5A1MAP4K4PDE5ASRD5A2
SCHEMBL10469026 0.86 FABP4 (0.43) CAMK2ASRD5A1SRD5A2EDNRBEDNRA
SCHEMBL17361500 0.85 SRD5A1 (0.43) CAMK2ASRD5A1MAP4K4PDE5ASRD5A2
SCHEMBL12501482 0.85 SRD5A1 (0.43) CAMK2ASRD5A1MAP4K4PDE5ASRD5A2
SCHEMBL12501609 0.85 SRD5A1 (0.43) CAMK2ASRD5A1MAP4K4PDE5ASRD5A2
SCHEMBL6772814 0.84 CAMK2A (0.44) CAMK2ASRD5A1MAP4K4PDE5ASRD5A2
SCHEMBL22039443 0.83 CAMK2A (0.43) CAMK2ASRD5A1SRD5A2EDNRBEDNRA
SCHEMBL22040771 0.83 CAMK2A (0.43) CAMK2ASRD5A1SRD5A2EDNRBEDNRA
SCHEMBL23997446 0.81 SRD5A1 (0.44) CAMK2ASRD5A1SRD5A2TRPV1PIN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807101-B1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS UPJOHN CO (US) 2001-06-13 EP disclosed
US-5936000-A 2-aminoindans as selective dopamine D3 ligands PHARMACIA & UPJOHN COMPANY (US) 1999-08-10 US disclosed
WO-1996023760-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1996-08-08 WO disclosed