SCHEMBL7344686

SCHEMBL7344686

c1ccc(CNc2cccc3c2CCCC3)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.75
HTT P42858 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75
RXRA P19793 1/20 0.72
RXRB P28702 1/20 0.72
RXRG P48443 1/20 0.72
HDAC6 Q9UBN7 2/20 0.66
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
CARM1 Q86X55 1/20 0.48
HSD17B10 Q99714 2/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL13447402 0.97 RXRA (0.72) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL11936093 0.87 SMN1; SMN2 (0.71) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL7331010 0.81 RXRA (0.60) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL5123728 0.78 RXRA (0.51) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL5130276 0.78 HTT (0.49) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL11940789 0.78 SMN1; SMN2 (0.59) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL8166642 0.77 HTT (0.58) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL5131100 0.76 HTT (0.47) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL13565505 0.76 SMN1; SMN2 (0.56) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL11935308 0.76 HTT (0.56) SMN1; SMN2HTTNPSR1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598962-A1 Imidazole derivatives as calcium channel blockers NEUROSEARCH A/S (DK) 1994-06-01 EP disclosed
US-5296493-A Analgesics or antiischemics NEUROSEARCH A/S (DK) 1994-03-22 US disclosed