SCHEMBL9524374

SCHEMBL9524374

CC1(C)CC(c2ccccn2)c2cc(Br)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
PFKFB3 Q16875 1/20 0.33
MAPT P10636 1/20 0.33
CTSD P07339 2/20 0.32
BACE1 P56817 2/20 0.32
ADRA2A P08913 1/20 0.32
TRPV1 Q8NER1 3/20 0.32
CACNA1B Q00975 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
SCHEMBL9525760 0.85 TRPM5 (0.42) HTR2BSMN1; SMN2DDB1CRBNADRA2A
SCHEMBL9523567 0.84 DDB1 (0.38) HTR2BSMN1; SMN2DDB1CRBNPFKFB3
SCHEMBL9383961 0.83 ADRA2A (0.36) HTR2BDDB1CRBNBACE1ADRA2A
SCHEMBL9527547 0.83 ALDH1A1 (0.40) SMN1; SMN2DDB1CRBNPFKFB3MAPT
SCHEMBL8338287 0.82 ABCC9 (0.43)
SCHEMBL8967989 0.82 ABCC9 (0.43)
SCHEMBL9524927 0.81 MAPT (0.42) SMN1; SMN2MAPT
SCHEMBL9524902 0.81 ESR1 (0.42) SMN1; SMN2DDB1CRBN
SCHEMBL9527411 0.81 BRD4 (0.37) SMN1; SMN2TRPV1
SCHEMBL9523546 0.80 TGFBR1 (0.39) SMN1; SMN2DDB1CRBNMAPTCTSD

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