SCHEMBL6967804

SCHEMBL6967804

CNC(CN)c1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.37
ADRB1 P08588 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRB3 P13945 1/20 0.37
ADRA2B P18089 1/20 0.37
PDPK1 O15530 1/20 0.35
ROCK2 O75116 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MME P08473 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
APP P05067 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CXCR2 P25025 1/20 0.31

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
SCHEMBL11625515 0.76 SLC6A4 (0.44) ROCK2SLC6A2SLC6A4
SCHEMBL15663659 0.76 ITGB3 (0.44) PDPK1ROCK2CES2CES1MME
SCHEMBL11080784 0.75 ADRA2A (0.45) ADRA2CADRB1ADRA2AADRB3ADRA2B
SCHEMBL11607361 0.75 ADRB2 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL28266979 0.75 TAAR1 (0.48) ADRA2CPDPK1ROCK2CES2CES1
SCHEMBL12182700 0.75 TAAR1 (0.48) ADRA2CPDPK1ROCK2CES2CES1
SCHEMBL11627713 0.74 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL11080031 0.74 CYP3A4 (0.45) ROCK2CES2CES1SLC6A2SLC6A4
SCHEMBL11634613 0.73 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL11621718 0.73 ADRA2C (0.38) ADRA2CADRA2AADRA2BCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620815-B1 Selective antagonists for human alpha 1A receptors; benign prostatic hyperplasia, impotency, cardiac arrhythmia treatment; anticholesterol agents; intraocular pressure reduction SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-16 US disclosed
EP-0988295-A4 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2003-08-13 EP disclosed
US-6159990-A Oxazolidinones as α1A receptor antagonists SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 WO disclosed
US-4088771-A 1-Lower alkyl-4,5-dihydro-5-phenyl-2-lower alkoxy carbonylaminoimidazoles and substituted phenyl derivatives thereof SYNTEX (U.S.A.) INC. (US) 1978-05-09 US disclosed