SCHEMBL11243369

SCHEMBL11243369

Clc1ccc(CNC2CC3(CCCC3)Oc3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.45
TRPV1 Q8NER1 7/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.41
BACE1 P56817 4/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
MEN1 O00255 1/20 0.40
KDM1A O60341 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CTSD P07339 1/20 0.39
TP53 P04637 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LTA4H P09960 1/20 0.37

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
SCHEMBL11245449 0.90 TRPV1 (0.45) OPRD1TRPV1KMT2ABACE1CTSD
SCHEMBL11249928 0.88 TRPV1 (0.44) OPRD1TRPV1KMT2ABACE1CTSD
SCHEMBL11252670 0.88 TRPV1 (0.46) OPRD1TRPV1KMT2ABACE1BCHE
SCHEMBL11261454 0.88 TRPV1 (0.44) OPRD1TRPV1KMT2ABACE1BCHE
SCHEMBL11239322 0.87 BACE1 (0.45) OPRD1TRPV1KMT2ABACE1BCHE
SCHEMBL11248305 0.86 OPRD1 (0.42) OPRD1TRPV1KMT2ABACE1CTSD
SCHEMBL11258860 0.84 TRPV1 (0.44) TRPV1KMT2ABACE1MEN1KDM1A
SCHEMBL11258124 0.83 TRPV1 (0.47) OPRD1TRPV1KMT2ABACE1CTSD
SCHEMBL11481607 0.82 BACE1 (0.40) OPRD1TRPV1BACE1CTSDTP53
SCHEMBL11483395 0.82 TRPV1 (0.46) OPRD1TRPV1KMT2ABACE1CTSD

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-0001428-B1 INSECTICIDAL AND ACARICIDAL AGENTS CONTAINING CHROMAN DERIVATIVES, THEIR PREPARATION AND THEIR USE, AS WELL AS CHROMAN DERIVATIVES AND THEIR PREPARATION BAYER AG (DE) 1982-03-24 EP disclosed
US-4238501-A INSECTICIDES, MITICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US disclosed
US-4237162-A MITICIDES, LARVACIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed