SCHEMBL10653261

SCHEMBL10653261

CCC1(CC)CC(C=O)c2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.40
KMT2A Q03164 2/20 0.39
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2D6 P10635 3/20 0.32
OPRD1 P41143 3/20 0.32
KCNH2 Q12809 3/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 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
SCHEMBL27492224 0.81 HTR1A (0.37) TRPV1LMNAUSP2
SCHEMBL10653068 0.80 KMT2A (0.41) TRPV1KMT2AKCNE1KCNQ1LMNA
SCHEMBL23422976 0.79 KMT2A (0.57) TRPV1KMT2A
SCHEMBL10652138 0.78 KCNE1 (0.38) KMT2AKCNE1KCNQ1LMNATSHR
SCHEMBL20616572 0.76 TRPV1 (0.39) TRPV1KCNE1KCNQ1LMNACYP2D6
SCHEMBL15075066 0.76 TRPV1 (0.39) TRPV1KCNE1KCNQ1LMNACYP2D6
SCHEMBL10651226 0.74 TRPV1 (0.38) TRPV1KMT2A
SCHEMBL27581222 0.70 GAA (0.39) KMT2ALMNATSHRSMN1; SMN2NPSR1
SCHEMBL10851346 0.68 HTR2A (0.44) TRPV1TSHRSMN1; SMN2NPSR1CYP2D6
Diethylamine SCHEMBL28458671 0.68 CYP2D6 (0.40) CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0157267-B1 SUBSTITUTED BENZOPYRANS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1988-11-23 EP disclosed
US-4659737-A Substituted aminomethyl benzopyrans having anti-hypertensive activities BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0157267-A2 Substituted benzopyrans, process for their preparation and their use in medicines BAYER AG (DE) 1985-10-09 EP disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed