SCHEMBL6963309

SCHEMBL6963309

COc1ccc(F)cc1C1(c2ccc(F)cc2)CCN(CCC(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.41
DRD2 P14416 4/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
POLB P06746 1/20 0.39
HSD11B1 P28845 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6957641 0.86 PDE4A (0.41) DRD2OPRM1OPRK1OPRL1CYP3A4
SCHEMBL6963314 0.83 HTR2A (0.44) DRD2OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL8164638 0.82 DRD2 (0.51) DRD2OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL6969857 0.81 DRD3 (0.43) OPRM1ALDH1A1MAPT
SCHEMBL6199339 0.77 DRD2 (0.45) DRD2OPRM1CYP1A2CYP3A4CYP2D6
SCHEMBL7225736 0.77 HTR2A (0.42) DRD2CYP2D6HTR2AHTR2CHTR2B
SCHEMBL6962865 0.76 DRD2 (0.44) DRD2OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL7665768 0.75 DRD2 (0.66) DRD2OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL7234672 0.74 DRD2 (0.59) DRD2HTR1A
Hydrochloric Acid SCHEMBL7658312 0.74 DRD2 (0.64) DRD2OPRM1OPRK1CYP1A2CYP3A4

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