SCHEMBL27477261

SCHEMBL27477261

Cl[Ti](Cl)(C1=CC=CC1)C1C=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL27479359 0.78
SCHEMBL15863721 0.71
Hydrochloric Acid SCHEMBL15863737 0.68
SCHEMBL5860378 0.68 CHRNB2 (0.36) CHRNB2CHRNA4
SCHEMBL31108156 0.68 CHRNB2 (0.36) CHRNB2CHRNA4HTR1AHTR7HTR2B
SCHEMBL6930673 0.68 CHRNB2 (0.36) CHRNB2CHRNA4HTR1AHTR7HTR2B
Hydrochloric Acid SCHEMBL15863736 0.68
Hydrochloric Acid SCHEMBL20656711 0.68
Hydrochloric Acid SCHEMBL15863735 0.68
Ethane SCHEMBL8630190 0.68

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
CN-1160055-A Process for reducing by-product in product mixture HOECHST AG (DE) 1997-09-24 CN disclosed