SCHEMBL8778940

SCHEMBL8778940

CC1(C)CC(N)c2cc(-c3ccc(Br)cc3)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HTR2B P41595 6/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
HTR1A P08908 1/20 0.35
KIF11 P52732 1/20 0.33
CTSD P07339 3/20 0.32
BACE1 P56817 3/20 0.32
HTR7 P34969 1/20 0.32
MAOB P27338 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
PFKFB3 Q16875 1/20 0.30
TDP2 O95551 1/20 0.30

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
Hydrochloric Acid SCHEMBL6559622 0.99 CNR1 (0.37) CNR1CNR2HTR2BTMEM97SIGMAR1
SCHEMBL6024969 0.88 BACE1 (0.37) CNR1CNR2HTR2BCTSDBACE1
SCHEMBL6025054 0.88 BACE1 (0.37) CNR1CNR2HTR2BCTSDBACE1
Hydrochloric Acid SCHEMBL6561181 0.86 HTR2B (0.46) CNR1CNR2HTR2BTMEM97SIGMAR1
SCHEMBL15086547 0.79 TRPV1 (0.41) CNR1CNR2CTSDBACE1TRPV1
SCHEMBL3574214 0.79 TRPV1 (0.41) CNR1CNR2CTSDBACE1TRPV1
Hydrochloric Acid SCHEMBL23362822 0.78 TRPV1 (0.40) CNR1CNR2CTSDBACE1TRPV1
SCHEMBL7479500 0.77 HTR2C (0.42) CNR1CNR2HTR2BSIGMAR1HTR1A
SCHEMBL3322619 0.76 TRPV1 (0.41) TRPV1
Hydrochloric Acid SCHEMBL6561142 0.76 HTR2C (0.41) CNR1CNR2HTR2BSIGMAR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed