SCHEMBL7442602

SCHEMBL7442602

C1=CC2(CCN(CCCCc3ccccc3)CC2)Oc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
SIGMAR1 Q99720 6/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
OPRM1 P35372 1/20 0.48
CCR3 P51677 2/20 0.48
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR1A P08908 1/20 0.46

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
SCHEMBL8002464 0.91 ADRA1A (0.66) ADRA1DADRA1AADRA1BSIGMAR1HTR2C
SCHEMBL4275257 0.83 HDAC3 (0.58) ADRA1DADRA1AADRA1BSIGMAR1HTR2C
SCHEMBL7439197 0.78 SIGMAR1 (0.58) SIGMAR1OPRM1CCR3DRD2HTR2A
SCHEMBL8693564 0.76 MCHR2 (0.58) SIGMAR1OPRM1CCR3
SCHEMBL3413391 0.76 HTR2C (0.62) ADRA1DADRA1AADRA1BHTR2CHTR2B
Hydrochloric Acid SCHEMBL4269341 0.75 ADRA1D (0.54) ADRA1DADRA1AADRA1BHTR2CHTR2B
SCHEMBL7370885 0.73 HTR2C (0.62) ADRA1DADRA1AADRA1BHTR2CHTR2B
SCHEMBL7439064 0.72 DRD2 (0.83) ADRA1DADRA1AADRA1BSIGMAR1HTR2C
SCHEMBL3552550 0.70 HTR2C (0.72) ADRA1DADRA1AADRA1BHTR2CHTR2B
SCHEMBL8092982 0.70 SIGMAR1 (0.85) SIGMAR1CCR3

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 9 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-0593511-A1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT H. LUNDBECK A/S (DK) 1994-04-27 EP disclosed
WO-1992022554-A1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT H. LUNDBECK A/S (DK) 1992-12-23 WO disclosed
EP-0518805-A1 Piperidine derivatives H. LUNDBECK A/S (DK) 1992-12-16 EP disclosed