SCHEMBL7330399

SCHEMBL7330399

O=C1OC2(CCN(Cc3ccccc3)CC2)Cc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.67
ADRA1D P25100 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
DRD2 P14416 3/20 0.55
HTR2A P28223 2/20 0.55
HTR2C P28335 2/20 0.55
HTR2B P41595 2/20 0.55
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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 SCHEMBL20954914 0.99 SIGMAR1 (0.65) SIGMAR1ADRA1DADRA1AADRA1BDRD2
SCHEMBL23377254 0.82 SIGMAR1 (0.53) SIGMAR1ADRA1DADRA1AADRA1BDRD2
SCHEMBL864155 0.82 SIGMAR1 (0.79) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL11193368 0.81 SIGMAR1 (0.77) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL4270067 0.80 SIGMAR1 (1.00) SIGMAR1ADRA1DADRA1AADRA1BDRD2
SCHEMBL12836261 0.80 ADRA1D (0.58) SIGMAR1ADRA1DADRA1AADRA1BDRD2
SCHEMBL12017854 0.79 SIGMAR1 (0.70) SIGMAR1ADRA1DADRA1AADRA1BDRD2
SCHEMBL1691155 0.78 SIGMAR1 (0.78) SIGMAR1ADRA1DADRA1AADRA1BDRD2
SCHEMBL31288703 0.78 SIGMAR1 (0.78) SIGMAR1ADRA1DADRA1AADRA1BDRD2
SCHEMBL12017853 0.78 SIGMAR1 (0.69) SIGMAR1ADRA1DADRA1AADRA1BDRD2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207677-B1 ADMINISERING SIGMA RECEPTOR BINDING PIPERIDINE DERIVATIVE FOR TREATING ANXIETY, EPILEPSY, CONVULSION, MOVEMENT DISORDER, AMNESIA H. LUNDBECK A/S (DK) 2001-03-27 US disclosed
US-6090808-A PSYCHOLOGICAL DISORDERS; ANTICONVULSANTS H. LUNDBECK A/S (DK) 2000-07-18 US disclosed
EP-0593511-B1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT LUNDBECK & CO AS H (DK) 1998-09-02 EP disclosed
EP-0859004-A1 Piperidine derivatives having anxiolytic effect H. LUNDBECK A/S (DK) 1998-08-19 EP disclosed
EP-0649407-B1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES LUNDBECK & CO AS H (DK) 1998-08-05 EP disclosed
EP-0853085-A1 Piperidine derivatives having anxiolytic effect H. LUNDBECK A/S (DK) 1998-07-15 EP disclosed
US-5665725-A Piperidine derivatives having anxiolytic effect Lundbeck, H. (DK) 1997-09-09 US disclosed
US-5652235-A Method of using spiro piperidines to promote the release of growth hormone MERCK & CO., INC. (US) 1997-07-29 US disclosed
US-5536716-A Spiro piperidines and homologs which promote release of growth hormone MERCK & CO., INC. (US) 1996-07-16 US disclosed
EP-0649407-A1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES H. LUNDBECK A/S (DK) 1995-04-26 EP disclosed
EP-0615977-A1 Spiro piperidines and homologs which promote release of growth hormone MERCK & CO. INC. (US) 1994-09-21 EP disclosed
WO-1994013696-A1 SPIRO PIPERIDINES AND HOMOLOGS WHICH PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-06-23 WO disclosed
WO-1993025527-A1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES H. LUNDBECK A/S (DK) 1993-12-23 WO disclosed
EP-0518805-A1 Piperidine derivatives H. LUNDBECK A/S (DK) 1992-12-16 EP disclosed