SCHEMBL11509929

SCHEMBL11509929

CCN1CCCC1c1ccccc1Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ CHRNA7 P36544 3/20 0.45
▸ KDM1A O60341 2/20 0.44
▸ TSHR P16473 3/20 0.44
▸ SCN1A P35498 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ MCHR2 Q969V1 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ FFAR1 O14842 1/20 0.40

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
SCHEMBL11511479 0.83 FFAR1 (0.45) HTR1ASLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL11509887 0.83 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL11508283 0.82 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL24774521 0.82 CHRNA7 (0.44) HTR1ASLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL11511335 0.81 CHRNB2 (0.49) CHRNA7KDM1AMCHR2MCHR1CHRNB2
SCHEMBL11511434 0.78 KDM4E (0.46) CHRNA7MCHR2MCHR1CHRNB2CHRNB4
SCHEMBL11509888 0.77 CHRNA7 (0.43) HTR1ASLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL23032150 0.75 CHRNB2 (0.59) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13407277 0.75 CHRNB2 (0.59) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23423397 0.75 CHRNB2 (0.59) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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
US-4161529-A Phenoxy phenyl pyrrolidine compounds, compositions and methods of use SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1979-07-17 — — US disclosed
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