SCHEMBL7340285

SCHEMBL7340285

Clc1ccc(NCC2CCCCC2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 2/20 0.47
CNR2 P34972 5/20 0.46
MAP2K1 Q02750 1/20 0.45
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
PTGER4 P35408 1/20 0.42
CNR1 P21554 2/20 0.42

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
SCHEMBL11935246 0.84 PTGER4 (0.47) MAPK1NPC1MEN1KMT2ACYP1A2
SCHEMBL13438926 0.84 PTGER4 (0.47) MAPK1NPC1MEN1KMT2ACYP1A2
SCHEMBL8885032 0.81 PTGER4 (0.43) CNR2EPHX1EPHX2SMN1; SMN2KDM4E
SCHEMBL10886234 0.79 EBP (0.50) NPC1MEN1KMT2ACYP2C19RAB9A
SCHEMBL11168379 0.79 KDM4E (0.59) CNR2EPHX1EPHX2KDM4ECNR1
SCHEMBL6819449 0.78 POLB (0.49) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL6814431 0.76 PTGER4 (0.50) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL6956071 0.76 FDFT1 (0.52) NPC1RAB9ACNR2EPHX1EPHX2
SCHEMBL27270334 0.76 PTGER4 (0.55) MEN1KMT2AMAPTCYP2C19NPSR1
SCHEMBL17051427 0.76 PTGER4 (0.47) MEN1KMT2ACYP2C19CNR2PTGER4

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