SCHEMBL6910708

SCHEMBL6910708

CNC(=O)Nc1ccc2c(c1)C(CN1CC=C(c3c[nH]c4cc(Cl)ccc34)CC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.47
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A4 P31645 7/20 0.40
DRD2 P14416 7/20 0.40
HTR1A P08908 6/20 0.40
HTR7 P34969 6/20 0.40
HTR6 P50406 6/20 0.40

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
SCHEMBL6796026 0.92 HTR1D (0.48) HTR1DMAPTLMNAOPRM1OPRK1
SCHEMBL7220152 0.86 OPRM1 (0.51) HTR1DLMNAOPRM1OPRK1SLC6A4
SCHEMBL7219902 0.86 HTR1D (0.52) HTR1DMAPTLMNAOPRM1OPRK1
SCHEMBL6796662 0.86 OPRM1 (0.50) OPRM1OPRK1SLC6A4DRD2HTR1A
SCHEMBL7219879 0.85 HTR1D (0.54) HTR1DMAPTLMNASLC6A4DRD2
SCHEMBL7219472 0.85 HTR1D (0.48) HTR1DLMNAOPRM1OPRK1SLC6A4
SCHEMBL7213738 0.84 HTR1D (0.51) HTR1DSLC6A4DRD2HTR1AHTR7
SCHEMBL7216019 0.83 HTR1D (0.51) HTR1DSLC6A4DRD2HTR1AHTR7
Oxalic Acid SCHEMBL7214633 0.83 HTR1D (0.52) HTR1DMAPTLMNAOPRM1OPRK1
SCHEMBL6802859 0.82 HTR1D (0.49) HTR1DLMNAOPRM1OPRK1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767907-B2 FOR THERAPY OF PSYCHIC AND NEUROLOGIC DISORDERS H. LUNDBECK A/S (DK) 2004-07-27 US disclosed
US-6743808-B1 PSYCHOLOGICAL AND NEUROLOGIC DISORDERS; CENTRAL SEROTONERGIC 5-HT1A AND 5-HT2A RECEPTOR ANTAGONISTS H. LUNDBECK A/S (DK) 2004-06-01 US disclosed
US-6218394-B1 FOR THERAPY OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, SUCH AS GENERALISED ANXIETY DISORDER, PANIC DISORDER H. LUNDBECK A/S (DK) 2001-04-17 US disclosed
EP-0765311-B1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES LUNDBECK & CO AS H (DK) 2000-10-04 EP disclosed