SCHEMBL8128100

SCHEMBL8128100

CC1C(=O)CCc2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.46
CAMK2A Q9UQM7 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
ADRA2A P08913 1/20 0.38
PNMT P11086 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
KDM1A O60341 2/20 0.37
SRD5A2 P31213 1/20 0.37
BRD4 O60885 1/20 0.36
METAP1 P53582 2/20 0.35
PBRM1 Q86U86 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL9571041 0.86 HTR2A (0.50) SRD5A1HTR2AHTR2CHTR2BTDP1
SCHEMBL7796406 0.79 SRD5A1 (0.46) SRD5A1HTR2AHTR2CPARP10
SCHEMBL7796246 0.79 HTR2A (0.49) SRD5A1HTR2AHTR2CHTR2BADRA2A
SCHEMBL20229607 0.78 SRD5A1 (0.43) SRD5A1CAMK2ATDP1L3MBTL1PARP10
SCHEMBL12272087 0.78 ADRA2A (0.43) SRD5A1CAMK2AHTR2AHTR2CTDP1
SCHEMBL30527308 0.78 SRD5A1 (0.43) SRD5A1CAMK2ATDP1L3MBTL1PARP10
SCHEMBL6249142 0.76 HTR2C (0.51) SRD5A1HTR2AHTR2CHTR2BBRD4
SCHEMBL948086 0.73 ACP3 (0.46) SRD5A1HTR2AHTR2CHTR2BADRA2B
SCHEMBL13948754 0.72 SRD5A1 (0.49) SRD5A1CAMK2AHTR2AHTR2CHTR2B
SCHEMBL10024954 0.72 SRD5A1 (0.49) SRD5A1CAMK2AHTR2AHTR2CHTR2B

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-0690843-B1 Formyl- or cyano- substituted indole derivatives having dopaminergic activity UPJOHN CO (US) 2000-08-30 EP disclosed
EP-0343830-B1 Ring-substituted 2-amino-1,2,3,4-tetrahydronaphthalenes LILLY CO ELI (US) 1994-07-13 EP disclosed
US-5026707-A Antiserotonine agents ELI LILLY AND COMPANY (US) 1991-06-25 US disclosed
EP-0343830-A2 Ring-substituted 2-amino-1,2,3,4-tetrahydronaphthalenes ELI LILLY AND COMPANY (US) 1989-11-29 EP disclosed