SCHEMBL6969149

SCHEMBL6969149

S=COc1ccc(C2(c3ccccc3)CCNCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.62
AKT2 P31751 3/20 0.50
HTR2A P28223 2/20 0.50
TACR1 P25103 4/20 0.37
AKT1 P31749 2/20 0.37
AKT3 Q9Y243 2/20 0.37
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRL1 P41146 1/20 0.34
CYP2D6 P10635 2/20 0.33
TSHR P16473 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
GRIN1 Q05586 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
Hydrochloric Acid SCHEMBL6198470 0.98 OPRM1 (0.61) OPRM1AKT2HTR2ATACR1AKT1
SCHEMBL738518 0.79 OPRM1 (1.00) OPRM1AKT2HTR2ATACR1AKT1
SCHEMBL6198602 0.79 OPRM1 (0.69) OPRM1AKT2HTR2ATACR1OPRL1
Hydrochloric Acid SCHEMBL1765284 0.77 OPRM1 (0.95) OPRM1AKT2HTR2ATACR1MEN1
SCHEMBL6969152 0.75 OPRM1 (0.62) OPRM1AKT2HTR2ATACR1AKT1
Hydrochloric Acid SCHEMBL6198471 0.74 OPRM1 (0.61) OPRM1AKT2HTR2ATACR1AKT1
SCHEMBL1977652 0.73 OPRM1 (0.77) OPRM1AKT2HTR2ATACR1AKT1
SCHEMBL1257446 0.73 OPRM1 (0.77) OPRM1AKT2HTR2ATACR1AKT1
SCHEMBL7885473 0.72 OPRM1 (0.83) OPRM1AKT2HTR2ATACR1MEN1
Hydrochloric Acid SCHEMBL1765122 0.71 OPRM1 (0.74) OPRM1AKT2HTR2ATACR1AKT1

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