SCHEMBL7338899

SCHEMBL7338899

C#CCN1CCN=C1CN(Cc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
LMNA P02545 4/20 0.44
CYP2D6 P10635 3/20 0.44
CYP1A2 P05177 2/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PDE6A P16499 1/20 0.44
ADRA2C P18825 1/20 0.44
MC4R P32245 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
MC3R P41968 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE4D Q08499 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDE3A Q14432 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
SCHEMBL7338142 0.83 HTR1D (0.48) TSHRLMNACYP2D6CYP1A2HTR1A
SCHEMBL7337729 0.82 TSHR (0.50) TSHRLMNACYP2D6CYP1A2HTR1A
SCHEMBL7339207 0.80 CYP2D6 (0.49) TSHRLMNACYP2D6CYP1A2HTR1A
SCHEMBL7345751 0.79 CYP2D6 (0.47) TSHRLMNACYP2D6CYP1A2HTR1A
SCHEMBL7344285 0.78 CYP2D6 (0.47) TSHRLMNACYP2D6CYP1A2HTR1A
SCHEMBL7339633 0.77 CYP1A2 (0.46) TSHRLMNACYP2D6CYP1A2HTR1A
SCHEMBL7344115 0.76 CYP1A2 (0.45) TSHRLMNACYP2D6CYP1A2HTR1A
SCHEMBL7343396 0.76 CYP1A2 (0.45) TSHRLMNACYP2D6CYP1A2HTR1A
SCHEMBL7337002 0.76 CYP1A2 (0.45) TSHRLMNACYP2D6CYP1A2HTR1A
SCHEMBL7344251 0.75 HTR1D (0.44) TSHRLMNACYP2D6CYP1A2HTR1A

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-0598962-B1 Imidazole derivatives as calcium channel blockers NEUROSEARCH AS (DK) 1999-02-17 EP claimed
EP-0598962-A1 Imidazole derivatives as calcium channel blockers NEUROSEARCH A/S (DK) 1994-06-01 EP claimed
US-5296493-A Analgesics or antiischemics NEUROSEARCH A/S (DK) 1994-03-22 US claimed
EP-0598962-B1 Imidazole derivatives as calcium channel blockers NEUROSEARCH AS (DK) 1999-02-17 EP disclosed
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