SCHEMBL6969008

SCHEMBL6969008

C1=C(c2ccccn2)CCN(Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.61
SIGMAR1 Q99720 1/20 0.60
DRD3 P35462 8/20 0.56
DRD2 P14416 7/20 0.56
HTR1A P08908 2/20 0.51
HTR2A P28223 1/20 0.51
HTT P42858 1/20 0.51
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL16271937 0.85 DRD4 (0.56) DRD4SIGMAR1DRD3DRD2HTR1A
SCHEMBL16271969 0.85 DRD4 (0.56) DRD4SIGMAR1DRD3DRD2HTR1A
SCHEMBL2708167 0.85 DRD4 (0.55) DRD4SIGMAR1DRD3DRD2HTR1A
SCHEMBL25124555 0.82 SIGMAR1 (0.60) DRD4SIGMAR1DRD3DRD2PPARG
SCHEMBL105201 0.82 DRD4 (0.53) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL169482 0.81 DRD4 (0.52) DRD4SIGMAR1DRD3DRD2HTR1A
SCHEMBL171672 0.81 DRD4 (0.52) DRD4SIGMAR1DRD3DRD2HTR1A
SCHEMBL171316 0.81 DRD4 (0.53) DRD4SIGMAR1DRD3DRD2HTR1A
SCHEMBL4589196 0.81 DRD4 (0.57) DRD4SIGMAR1DRD3DRD2HTR1A
SCHEMBL2395932 0.80 DRD4 (0.67) DRD4SIGMAR1DRD3DRD2HTR1A

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-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-6303593-B1 FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS MERCK & CO., INC. 2001-10-16 US disclosed
US-6159990-A Oxazolidinones as α1A receptor antagonists SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed
WO-2000051608-A1 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 WO 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