SCHEMBL7436502

SCHEMBL7436502

c1ccc(CCCCN2CCC3(CC2)COCc2ccccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.56
OPRL1 P41146 2/20 0.50
GRIN2B Q13224 1/20 0.49

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
SCHEMBL8553726 0.91 SIGMAR1 (0.56) SIGMAR1
SCHEMBL1588028 0.83 SIGMAR1 (0.66) SIGMAR1
SCHEMBL7437691 0.82 SIGMAR1 (0.82) SIGMAR1OPRL1
SCHEMBL8553729 0.80 SIGMAR1 (0.48) SIGMAR1
SCHEMBL466857 0.80 HTR1A (0.65) SIGMAR1OPRL1
SCHEMBL7435097 0.80 SIGMAR1 (0.83) SIGMAR1OPRL1GRIN2B
SCHEMBL7431242 0.80 HTR1A (0.56) OPRL1
SCHEMBL7431429 0.79 HTR1A (0.64) SIGMAR1OPRL1
SCHEMBL6198931 0.79 HTR1A (0.64) SIGMAR1OPRL1
SCHEMBL7440266 0.79 HTR1A (0.55) OPRL1

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 7 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-6031099-A Piperidine derivates having anxiolytic effect H. LUNDBECK A/S (DK) 2000-02-29 US disclosed
US-5807871-A PSYCHOLOGICAL DISORDERS, ALZHEIMER OR PARKINSON DISEASE H. LUNDBECK A/S (DK) 1998-09-15 US disclosed
EP-0859004-A1 Piperidine derivatives having anxiolytic effect H. LUNDBECK A/S (DK) 1998-08-19 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
EP-0518805-A1 Piperidine derivatives H. LUNDBECK A/S (DK) 1992-12-16 EP disclosed