SCHEMBL11258124

SCHEMBL11258124

c1ccc2c(c1)OC1(CCCC1)CC2NCc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.47
BACE1 P56817 3/20 0.40
CTSD P07339 2/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.36
IDO1 P14902 1/20 0.35
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35

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
SCHEMBL11483395 0.99 TRPV1 (0.46) TRPV1BACE1CTSDKMT2AOPRM1
SCHEMBL11481607 0.89 BACE1 (0.40) TRPV1BACE1CTSDOPRM1OPRD1
SCHEMBL11481567 0.88 TRPV1 (0.40) TRPV1BACE1CTSDKMT2AOPRM1
SCHEMBL11474807 0.86 IDO1 (0.41) TRPV1BACE1CTSDKMT2AIDO1
SCHEMBL11489365 0.85 KDM1A (0.42) TRPV1BACE1CTSDKMT2AOPRM1
SCHEMBL11486581 0.85 ALDH1A1 (0.41) TRPV1BACE1CTSDKMT2AIDO1
SCHEMBL11245449 0.85 TRPV1 (0.45) TRPV1BACE1CTSDKMT2AOPRM1
SCHEMBL11249928 0.84 TRPV1 (0.44) TRPV1BACE1CTSDKMT2AOPRM1
SCHEMBL11261454 0.83 TRPV1 (0.44) TRPV1BACE1CTSDKMT2AOPRD1
SCHEMBL11243369 0.83 OPRD1 (0.45) TRPV1BACE1CTSDKMT2AOPRD1

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