SCHEMBL10459101

SCHEMBL10459101

Cc1ccc(C(c2ccc(C)cc2)C2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.49
SLC6A4 P31645 10/20 0.49
SLC6A3 Q01959 9/20 0.49
OPRD1 P41143 1/20 0.48
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRB1 P08588 1/20 0.38
HTR2C P28335 1/20 0.38

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 SCHEMBL10459138 0.98 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3OPRD1MEN1
SCHEMBL21381830 0.93 OPRD1 (0.57) SLC6A2SLC6A4SLC6A3OPRD1
SCHEMBL21385215 0.93 OPRD1 (0.57) SLC6A2SLC6A4SLC6A3OPRD1
SCHEMBL30149811 0.93 OPRD1 (0.57) SLC6A2SLC6A4SLC6A3OPRD1
SCHEMBL21384835 0.93 OPRD1 (0.57) SLC6A2SLC6A4SLC6A3OPRD1
SCHEMBL21382071 0.91 ACHE (0.43) SLC6A2SLC6A4SLC6A3OPRD1
SCHEMBL29734367 0.91 ACHE (0.43) SLC6A2SLC6A4SLC6A3OPRD1
SCHEMBL21382142 0.91 ACHE (0.43) SLC6A2SLC6A4SLC6A3OPRD1
SCHEMBL21382069 0.91 ACHE (0.43) SLC6A2SLC6A4SLC6A3OPRD1
SCHEMBL22542178 0.86 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3OPRD1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP disclosed
US-4306063-A 4-Substituted 3,5-morpholinediones MCNEIL LABORATORIES, INC. (US) 1981-12-15 US disclosed
US-4256891-A (2-Amino-2-oxoethoxy)acetic acid compounds MCNEIL LABORATORIES, INC. (US) 1981-03-17 US disclosed
US-4203991-A (Piperidino oxoethoxy)acetic acid compounds, compositions and methods MCNEILAB, INC. (US) 1980-05-20 US disclosed
US-4197315-A (2-Amino-2-oxoethoxy)acetic acid compounds, compositions and methods MCNEIL LABORATORIES, INC. (US) 1980-04-08 US disclosed
US-4123538-A (2-Amino-2-oxoethoxy)acetic acid compounds, compositions and methods MCNEIL LABORATORIES, INCORPORATED (US) 1978-10-31 US disclosed