SCHEMBL9527672

SCHEMBL9527672

Cc1cccnc1C1CC(C)(C)Oc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TRPV1 Q8NER1 3/20 0.35
OPRL1 P41146 5/20 0.35
PFKFB3 Q16875 1/20 0.35
OPRD1 P41143 1/20 0.34
MAPK1 P28482 2/20 0.34
HTR2B P41595 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 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
SCHEMBL9524525 0.80 RAB9A (0.36)
SCHEMBL9523567 0.79 DDB1 (0.38) SMN1; SMN2TRPV1PFKFB3OPRD1MAPK1
SCHEMBL769246 0.73 ADRA1A (0.48)
SCHEMBL7300199 0.71 EPHX2 (0.42) SMN1; SMN2TRPV1OPRL1MEN1KMT2A
SCHEMBL23746634 0.68 ALDH1A1 (0.42) SMN1; SMN2LMNATRPV1OPRD1KMT2A
SCHEMBL13257631 0.68 ALDH1A1 (0.42) SMN1; SMN2LMNATRPV1OPRD1KMT2A
SCHEMBL24075724 0.68 ALDH1A1 (0.42) SMN1; SMN2LMNATRPV1OPRD1KMT2A
SCHEMBL11363318 0.68 SLC6A2 (0.43) LMNATRPV1PFKFB3OPRD1MAPK1
SCHEMBL15021653 0.66 MEN1 (0.43) LMNATRPV1HTR2BMEN1KMT2A
SCHEMBL22997112 0.66 TRPV1 (0.37) SMN1; SMN2LMNATRPV1OPRD1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298452-B1 2H-1-BENZOPYRANE DERIVATIVES SUBSTITUTED IN POSITION 4 BY ARYL OR N-HETEROARYL F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP disclosed
US-5118694-A Hypotensive agents; treatment for cardiovascular and muscular disorders HOFFMANN-LA ROCHE INC. (US) 1992-06-02 US disclosed
US-4971982-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, SMOOTH MUSCLE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-11-20 US disclosed
EP-0298452-A2 2H-1-benzopyrane derivatives substituted in position 4 by aryl or N-heteroaryl F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 EP disclosed