SCHEMBL6958119

SCHEMBL6958119

NCCCC1CCCN(c2ccncc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.46
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
PIM1 P11309 3/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
PLD1 Q13393 1/20 0.36
CDC42BPA Q5VT25 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35
CDK4 P11802 1/20 0.35
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL6963247 0.86 CHKA (0.46) CHKADRD2DRD3ADRB2NCF1
SCHEMBL803786 0.85 CHKA (0.52) CHKADRD2DRD3PIM1PIM3
Hydrochloric Acid SCHEMBL785376 0.84 CHKA (0.50) CHKADRD2DRD3PIM1PIM3
SCHEMBL12424616 0.79 CHKA (0.52) CHKADRD2DRD3ADRB2NCF1
SCHEMBL18082917 0.79 CHKA (0.52) CHKADRD2DRD3ADRB2NCF1
SCHEMBL28179896 0.75 CHKA (0.47) CHKADRD2DRD3PIM1PIM3
SCHEMBL20310297 0.73 CHKA (0.57) CHKAPIM1PIM3PIM2ROCK2
SCHEMBL21341421 0.73 CHKA (0.57) CHKAPIM1PIM3PIM2ROCK2
SCHEMBL6223266 0.72 MAPT (0.49) ALDH1A1KDM4EPOLBSIGMAR1CYP2D6
SCHEMBL785766 0.72 CHKA (0.50) CHKADRD2DRD3ROCK2ROCK1

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 5 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