SCHEMBL7913673

SCHEMBL7913673

CC1(C)CC(CN)c2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
TRPV1 Q8NER1 4/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 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
SCHEMBL15732095 0.85 KCNE1 (0.38) TRPV1LMNAHTTTSHRSMN1; SMN2
SCHEMBL24090503 0.83 TRPV1 (0.37) TRPV1LMNAHTTTSHRSMN1; SMN2
SCHEMBL10651226 0.81 TRPV1 (0.38) HTR2ATRPV1HTR2CHTR2BKMT2A
SCHEMBL10407553 0.81 HTT (0.40) TRPV1LMNAHTTSMN1; SMN2KCNE1
SCHEMBL10407835 0.81 TRPV1 (0.35) TRPV1LMNAHTTTSHRSMN1; SMN2
SCHEMBL10653035 0.80 KCNE1 (0.36) HTR2ALMNAHTTHTR2CHTR2B
SCHEMBL10650405 0.80 HTR2C (0.43) HTR2ATRPV1LMNAHTR2CHTR2B
SCHEMBL17061216 0.78 PTGDR2 (0.44) TRPV1LMNASMN1; SMN2
SCHEMBL7909660 0.78 TRPV1 (0.30) TRPV1
SCHEMBL1237664 0.77 TRPV1 (0.37) TRPV1LMNAHTTHTR2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6177449-B1 CARDIOVASCULAR DISORDERS; ANTIULCER AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-23 US disclosed
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