SCHEMBL7343263

SCHEMBL7343263

CCCCN1CCN=C1CN(Cc1ccccc1)c1ccc(Br)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD4 P21917 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ALPG P10696 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
CRHR1 P34998 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
NR3C1 P04150 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL7348705 0.81 CYP1A2 (0.39) CYP1A2CYP2D6DRD4SIGMAR1HTR1D
SCHEMBL7343447 0.81 DRD2 (0.42) CYP1A2CYP2D6DRD4HTR1DHTR1B
SCHEMBL7344285 0.81 CYP2D6 (0.47) CYP1A2CYP2D6DRD4KDM4ELMNA
SCHEMBL7343328 0.81 CYP1A2 (0.42) CYP1A2CYP2D6DRD4HTR1DHTR1B
SCHEMBL7339633 0.78 CYP1A2 (0.46) CYP1A2CYP2D6DRD4KDM4ELMNA
SCHEMBL7341248 0.78 CYP1A2 (0.38) CYP1A2CYP2D6DRD4KDM4ELMNA
SCHEMBL7338728 0.77 CYP1A2 (0.50) CYP1A2CYP2D6DRD4OPRM1OPRL1
SCHEMBL7337002 0.77 CYP1A2 (0.45) CYP1A2CYP2D6DRD4ALDH1A1LMNA
SCHEMBL7343396 0.77 CYP1A2 (0.45) CYP1A2CYP2D6DRD4ALDH1A1LMNA
SCHEMBL7344115 0.77 CYP1A2 (0.45) CYP1A2CYP2D6DRD4ALDH1A1LMNA

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-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 disclosed
US-5296493-A Analgesics or antiischemics NEUROSEARCH A/S (DK) 1994-03-22 US disclosed