SCHEMBL17955431

SCHEMBL17955431

CC(C)(C)c1ccc(F)cc1O[C@@H]1CCNC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 9/20 0.50
▸ HTR1A P08908 8/20 0.50
▸ HTR2C P28335 8/20 0.49
▸ HTR2B P41595 8/20 0.49
▸ SLC6A3 Q01959 3/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ BCL9 O00512 3/20 0.41
▸ CTNNB1 P35222 3/20 0.41

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
SCHEMBL17955441 1.00 SLC6A2 (0.50) SLC6A2HTR1AHTR2CHTR2BSLC6A3
SCHEMBL17955423 0.92 HTR1A (0.48) SLC6A2HTR1AHTR2CHTR2BSLC6A3
SCHEMBL3113653 0.89 HTR2C (0.52) SLC6A2HTR1AHTR2CHTR2BSLC6A3
SCHEMBL19618927 0.82 HTR1A (0.55) SLC6A2HTR1AHTR2CHTR2BSLC6A3
SCHEMBL13034284 0.82 HTR1A (0.55) SLC6A2HTR1AHTR2CHTR2BSLC6A3
Hydrochloric Acid SCHEMBL3107935 0.81 HTR1A (0.54) SLC6A2HTR1AHTR2CHTR2BSLC6A3
SCHEMBL3880092 0.81 SLC6A2 (0.54) SLC6A2HTR1AHTR2CHTR2BSLC6A3
SCHEMBL15062008 0.81 HTR2C (0.54) SLC6A2HTR1AHTR2CHTR2BSLC6A3
SCHEMBL2944352 0.81 SLC6A2 (0.54) SLC6A2HTR1AHTR2CHTR2BSLC6A3
SCHEMBL15076157 0.81 HTR2C (0.54) SLC6A2HTR1AHTR2CHTR2BSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403835-B2 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2016-08-02 — — US disclosed
US-9403835-B2 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2016-08-02 — — US disclosed
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