SCHEMBL9524965

SCHEMBL9524965

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.39
GABRA1 P14867 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GRM5 P41594 2/20 0.36
KDM4E B2RXH2 6/20 0.33
HIF1A Q16665 3/20 0.33
LMNA P02545 3/20 0.33
EPAS1 Q99814 2/20 0.33
HTT P42858 2/20 0.33
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
METAP1 P53582 1/20 0.33
BLM P54132 1/20 0.33
DOHH Q9BU89 1/20 0.33

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
SCHEMBL9527612 0.85 NPC1 (0.44) GRM5KDM4EHIF1ALMNAEPAS1
SCHEMBL9525700 0.83 KDM4E (0.39) GRM5KDM4EHIF1ALMNAHTT
SCHEMBL8315585 0.82 ADRA1A (0.40) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL9523928 0.81 CBFB (0.40) GRM5KDM4ELMNAMETAP1L3MBTL1
SCHEMBL8332841 0.81 METAP2 (0.40) GRM5KDM4EHTTMETAP1ALDH1A1
SCHEMBL9086316 0.80 MAPT (0.46) GRM5KDM4ELMNAHTTPOLB
SCHEMBL9524854 0.80 RARA (0.48) GABRA5KDM4EPOLBRARARARB
SCHEMBL9525024 0.80 RARA (0.41) KDM4ERARARARBRARGNPC1
SCHEMBL8794576 0.78 CBFB (0.43) GRM5
SCHEMBL8796181 0.78 GRM4 (0.35) KDM4EHIF1AEPAS1CYP1A2RARA

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