SCHEMBL27464296

SCHEMBL27464296

C[CH]CCc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ GPR52 Q9Y2T5 1/20 0.47
▸ POLB P06746 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ PYCR1 P32322 2/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ CXCR3 P49682 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL17355551 0.82 GPR52 (0.49) TAAR1HTR2AGPR52POLBCTDSP1
SCHEMBL8733231 0.78 CYP1A2 (0.52) TAAR1GPR52CYP2A6IDO1ALDH1A1
SCHEMBL11539924 0.76 TAAR1 (0.50) TAAR1IDO1
SCHEMBL410871 0.76 TAAR1 (0.50) TAAR1HTR2AGPR52POLBCTDSP1
SCHEMBL432651 0.76 TAAR1 (0.50) TAAR1HTR2APOLBCTDSP1IDO1
SCHEMBL7750793 0.76 ESR1 (0.59) TAAR1SIGMAR1ALDH1A1
SCHEMBL98013 0.76 TAAR1 (0.50) TAAR1HTR2AGPR52POLBCTDSP1
SCHEMBL626076 0.76 TAAR1 (0.68) TAAR1HTR2APOLBCTDSP1CYP2A6
SCHEMBL4769318 0.76 TAAR1 (0.45) TAAR1HTR2AGPR52POLBCTDSP1
SCHEMBL184329 0.75 GPR52 (0.48) TAAR1HTR2AGPR52SIGMAR1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101215370-B Substituted fluorene polymers, their preparations and use in optical devices CAMBRIDGE DISPLAY TECH LTD 2012-06-20 — — CN disclosed
CN-100417703-C Substituted fluorene polymers, their preparation and use in optical devices CAMBRIDGE DISPLAY TECH LTD (GB) 2008-09-10 — — CN disclosed
CN-101215370-A Substituted fluorene polymers, their preparations and use in optical devices CAMBRIDGE DISPLAY TECH LTD (GB) 2008-07-09 — — CN disclosed
CN-1513044-A Substituted fluorene polymers, their preparation and use in optical devices ʾ 2004-07-14 — — CN disclosed
CN-1119337-C Substituted 2, 4-diamino-1, 3, 5-triazines as herbicides BAYER AG (DE) 2003-08-27 — — CN disclosed
CN-1239957-A Substituting 2-amino-4-alkylamino-1,3,5-triazine as herbicide BAYER AG (DE) 1999-12-29 — — CN disclosed
CN-1239955-A Substituted 2, 4-diamino-1, 3, 5-triazines as herbicides BAYER AG (DE) 1999-12-29 — — CN disclosed
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