SCHEMBL6969857

SCHEMBL6969857

COc1ccc(Br)cc1C1(c2ccccc2)CCN(CCC(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.43
CHRM5 P08912 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ADRA1A P35348 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
TACR2 P21452 3/20 0.40
TACR1 P25103 3/20 0.40
ACHE P22303 1/20 0.39
HTR4 Q13639 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL6969864 0.84 HTR7 (0.40) DRD3ADRA1ASIGMAR1
SCHEMBL6957641 0.82 PDE4A (0.41) DRD3OPRM1OPRD1ADRA1ATACR2
SCHEMBL6963309 0.81 CACNA1G (0.41) OPRM1ALDH1A1MAPT
SCHEMBL7079236 0.80 DRD2 (0.57) DRD3ADRA1ASIGMAR1
SCHEMBL6968366 0.78 ADRA1A (0.54) CHRM1OPRM1OPRD1KDM4EALDH1A1
SCHEMBL6968347 0.77 MMP9 (0.44) ALDH1A1ADRA1ATP53MAPT
Hydrochloric Acid SCHEMBL6967332 0.73 OPRM1 (0.49) OPRM1KDM4EALDH1A1TACR1SIGMAR1
SCHEMBL6197260 0.72 ADRA1A (0.42) DRD3ADRA1ASIGMAR1
SCHEMBL7225736 0.71 HTR2A (0.42) DRD3ADRA1ASIGMAR1
SCHEMBL7079515 0.71 ADRA1A (0.46) OPRM1OPRD1ADRA1A

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