SCHEMBL7337406

SCHEMBL7337406

CN(C)c1nc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.51
DRD2 P14416 1/20 0.47
CNR1 P21554 1/20 0.47
MCHR1 Q99705 1/20 0.44
P2RX3 P56373 2/20 0.43
TBXA2R P21731 4/20 0.43
KCNA3 P22001 1/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
RAB9A P51151 1/20 0.41
TRPC5 Q9UL62 1/20 0.41
SOS1 Q07889 1/20 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
SCHEMBL30358044 0.81 SOS1 (0.60) CNR2DRD2CNR1P2RX3TBXA2R
SCHEMBL3083259 0.81 SOS1 (0.60) CNR2DRD2CNR1P2RX3TBXA2R
SCHEMBL7170787 0.77 CNR2 (0.47) CNR2CNR1TRPC5SOS1
SCHEMBL10237658 0.73 CCR2 (0.52) DRD2P2RX3KCNA3GALR3NR2F2
SCHEMBL7338096 0.72 SOS1 (0.49) CNR2CNR1P2RX3TRPC5SOS1
SCHEMBL7295346 0.71 CACNA1D (0.56) CNR2MCHR1
SCHEMBL12412028 0.71 NPC1 (0.63) CNR2CNR1RAB9ATRPC5
SCHEMBL24549318 0.71 CNR2 (0.54) CNR2CNR1RAB9A
SCHEMBL7337916 0.70 ALDH1A1 (0.65) CNR2TBXA2R
SCHEMBL28453413 0.68 ALDH1A1 (0.63) CNR2RAB9A

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-0545845-B1 Imidazole compounds, their preparation and use as calcium channel blockers NEUROSEARCH AS (DK) 1996-02-28 EP claimed
US-5314903-A Benzimidazole compounds useful as calcium channel blockers NEUROSEARCH A/S (DK) 1994-05-24 US claimed
EP-0545845-A1 Imidazole compounds, their preparation and use as calcium channel blockers NEUROSEARCH A/S (DK) 1993-06-09 EP claimed
EP-0545845-B1 Imidazole compounds, their preparation and use as calcium channel blockers NEUROSEARCH AS (DK) 1996-02-28 EP disclosed
US-5314903-A Benzimidazole compounds useful as calcium channel blockers NEUROSEARCH A/S (DK) 1994-05-24 US disclosed
EP-0545845-A1 Imidazole compounds, their preparation and use as calcium channel blockers NEUROSEARCH A/S (DK) 1993-06-09 EP disclosed