SCHEMBL6963522

SCHEMBL6963522

CC(CN)CN1CCC(C#N)(c2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.58
OPRD1 P41143 1/20 0.56
OPRL1 P41146 3/20 0.50
ADRA1D P25100 5/20 0.47
ADRA1A P35348 5/20 0.47
ADRA1B P35368 4/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL6963525 1.00 OPRM1 (0.58) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL6955080 0.86 OPRD1 (0.60) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL6955083 0.86 OPRD1 (0.60) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL6968528 0.84 OPRM1 (0.58) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL6958608 0.84 OPRM1 (0.58) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL7079344 0.81 OPRM1 (0.54) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL10795357 0.79 OPRM1 (0.66) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL10442726 0.78 OPRD1 (0.60) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL6891511 0.78 OPRM1 (0.69) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL8591005 0.78 OPRD1 (0.63) OPRM1OPRD1OPRL1ADRA1DADRA1A

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 10 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-6274583-B1 Alpha 1a adrenergic receptor antagonists MERCK & CO., INC. 2001-08-14 US 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
US-5977115-A Alpha 1a adrenergic receptor antagonists MERCK & CO., INC. (US) 1999-11-02 US disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 WO disclosed
EP-0833637-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST MERCK & CO INC (US) 1998-07-08 EP disclosed
EP-0833637-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST Merck & Co., Inc. (US) 1998-04-08 EP disclosed
WO-1996040136-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 1996-12-19 WO disclosed