SCHEMBL6949334

SCHEMBL6949334

Cc1ccc(C#N)c(N2CCc3ccccc3CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.55
PLK1 P53350 1/20 0.46
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
TSHR P16473 4/20 0.44
USP2 O75604 2/20 0.44
CLK1 P49759 1/20 0.44
ALOX15 P16050 3/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA1D P25100 1/20 0.41

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
SCHEMBL514922 0.84 HRH4 (0.56) HRH4KDM4EALDH1A1TSHRUSP2
SCHEMBL15831807 0.84 HRH4 (0.56) HRH4KDM4EALDH1A1TSHRUSP2
SCHEMBL15831793 0.83 HRH4 (0.61) HRH4KDM4EALDH1A1TSHRUSP2
SCHEMBL15831822 0.82 RXFP1 (0.58) HRH4KDM4EALDH1A1TSHRUSP2
SCHEMBL7066926 0.81 HRH4 (0.60) HRH4KDM4EALDH1A1TSHRUSP2
SCHEMBL14781363 0.81 HRH4 (0.60) HRH4KDM4EALDH1A1TSHRUSP2
SCHEMBL2553146 0.81 HRH4 (0.60) HRH4KDM4EALDH1A1TSHRUSP2
SCHEMBL15831798 0.79 HRH4 (0.54) HRH4KDM4EALDH1A1TSHRALOX15
SCHEMBL6821415 0.79 ALDH1A1 (0.58) HRH4KDM4EALDH1A1TSHRCLK1
SCHEMBL2527319 0.79 HRH4 (0.61) HRH4KDM4EALDH1A1TSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074549-B1 Tetrahydro-benzo(d)azepines and their use as antagonists at metabotropic glutamate receptors HOFFMANN LA ROCHE (CH) 2003-11-19 EP disclosed
US-6218385-B1 FOR THERAPY OR PROPHYLAXIS OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS EPILEPSY, STROKE, CHRONIC AND ACUTE PAIN, PSYCHOSIS, SCHIZOPHRENIA, ALZHEIMER'S DISEASE, COGNITIVE DISORDERS AND MEMORY DEFICITS HOFFMANN-LA ROCHE INC. 2001-04-17 US disclosed
EP-1074549-A2 Tetrahydro-benzo(d)azepines and their use as antagonists at metabotropic glutamate receptors F. HOFFMANN-LA ROCHE AG (CH) 2001-02-07 EP disclosed