SCHEMBL7304178

SCHEMBL7304178

Nc1nc2cc(F)ccc2n1-c1cccc(N2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
C1S P09871 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HRH3 Q9Y5N1 3/20 0.38
KCNH2 Q12809 1/20 0.38
F10 P00742 1/20 0.38
DHFR P00374 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36

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
SCHEMBL7300903 0.99 TERT (0.40) TERTALDH1A1GAAHTTIDO1
SCHEMBL1924454 0.78 ALDH1A1 (0.53) ALDH1A1GAAHTTKCNH2SMN1; SMN2
SCHEMBL3159432 0.71 SMN1; SMN2 (0.50) ALDH1A1GAAHTTC1SNPC1
SCHEMBL7167684 0.70 NOS2 (0.53) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL24529 0.69 TP53 (0.55) TERTALDH1A1SMN1; SMN2HPGD
SCHEMBL255378 0.69 ALDH1A1 (0.52) ALDH1A1GAAHTTC1SNPC1
SCHEMBL30167608 0.69 ALDH1A1 (0.52) ALDH1A1GAAHTTC1SNPC1
SCHEMBL22685038 0.69 ALDH1A1 (0.59) TERTALDH1A1GAAHTTNPC1
SCHEMBL1924005 0.68 MAP3K7 (0.52) ALDH1A1HTTHRH3SMN1; SMN2
SCHEMBL1397693 0.66 ADRA2C (0.66) TERTALDH1A1GAAHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520200-B1 Imidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1998-02-18 EP claimed
US-5210091-A Calcium channel blockers used in treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1993-05-11 US claimed
EP-0520200-A2 Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1992-12-30 EP claimed
EP-0520200-B1 Imidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1998-02-18 EP disclosed
US-5210091-A Calcium channel blockers used in treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1993-05-11 US disclosed
EP-0520200-A2 Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1992-12-30 EP disclosed