SCHEMBL11239291

SCHEMBL11239291

Clc1ccc2c(c1)C(NCc1cccc3ccccc13)CC1(CCCC1)O2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.41
BACE1 P56817 6/20 0.36
CTSD P07339 4/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
TRPV1 Q8NER1 5/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CCR4 P51679 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL11473484 1.00 TRPV3 (0.41) TRPV3BACE1CTSDOPRM1OPRK1
SCHEMBL11481605 1.00 TRPV3 (0.41) TRPV3BACE1CTSDOPRM1OPRK1
SCHEMBL11481490 0.88 TRPV1 (0.41) TRPV1MEN1KMT2AADRA1DADRA1A
SCHEMBL11245250 0.88 TRPV1 (0.41) TRPV1MEN1KMT2AADRA1DADRA1A
SCHEMBL11472524 0.88 TRPV1 (0.41) TRPV1MEN1KMT2AADRA1DADRA1A
SCHEMBL11483393 0.87 TRPV1 (0.40) TRPV1MEN1KMT2AADRA1DADRA1A
SCHEMBL11482014 0.87 TRPV1 (0.40) TRPV1MEN1KMT2AADRA1DADRA1A
SCHEMBL11253871 0.87 TRPV1 (0.40) TRPV1MEN1KMT2AADRA1DADRA1A
SCHEMBL3803774 0.84 TRPV3 (0.47) TRPV3BACE1CTSDTRPV1CNR1
SCHEMBL3427065 0.84 TRPV3 (0.47) TRPV3BACE1CTSDTRPV1CNR1

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