SCHEMBL10651226

SCHEMBL10651226

CCC1(CC)CC(CN)c2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.38
HTR2A P28223 5/20 0.35
KDM1A O60341 3/20 0.35
RCOR1 Q9UKL0 3/20 0.35
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7913673 0.81 HTR2A (0.39) TRPV1HTR2AHTR2CHTR2BKMT2A
SCHEMBL15075066 0.81 TRPV1 (0.39) TRPV1KDM1ARCOR1
SCHEMBL20616572 0.81 TRPV1 (0.39) TRPV1KDM1ARCOR1
SCHEMBL10653035 0.78 KCNE1 (0.36) HTR2AKDM1AHTR2CHTR2BKMT2A
SCHEMBL23422976 0.75 KMT2A (0.57) TRPV1KMT2A
SCHEMBL10851336 0.74 MAPK1 (0.41) TRPV1HTR2BKMT2A
SCHEMBL10851346 0.74 HTR2A (0.44) TRPV1HTR2A
SCHEMBL10653261 0.74 TRPV1 (0.40) TRPV1KMT2A
SCHEMBL11096388 0.73 MAPK1 (0.36) TRPV1
SCHEMBL10850317 0.73 MAPK1 (0.36) TRPV1KMT2A

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