SCHEMBL5869932

SCHEMBL5869932

[CH2]c1ccccc1CCc1ccccc1[CH2]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.35
HSPA5 P11021 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.31
PNMT P11086 1/20 0.31
IDO1 P14902 1/20 0.31
PKM P14618 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
SCHEMBL10719547 0.88 LIPG (0.34) TAAR1HSPA5HTR2A
SCHEMBL1287637 0.87 HTR1A (0.48) TAAR1HTR1ADRD2HTR2AIDO1
SCHEMBL1606781 0.86 TAAR1 (0.31) TAAR1
SCHEMBL9193507 0.84 TDP1 (0.44) TAAR1
SCHEMBL1533499 0.84 TAAR1 (0.39) TAAR1HTR2APNMT
SCHEMBL135178 0.84 LIPG (0.36) TAAR1HTR1A
SCHEMBL577388 0.84 TAAR1 (0.56) TAAR1HTR2A
SCHEMBL325674 0.84 TDP1 (0.44) TAAR1HSPA5PKM
SCHEMBL2223002 0.81 HSPA5 (0.46) TAAR1HSPA5HTR2APNMTIDO1
SCHEMBL392416 0.80 LIPG (0.47)

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-7066990-B2 Ink jet ink and recording material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-06-27 US disclosed
US-20040170779-A1 Ink jet ink and recording material CIBA SPECIALTY CHEMICALS CORP. 2004-09-02 US disclosed