SCHEMBL4018722

SCHEMBL4018722

Clc1ccccc1Cc1ncc[nH]1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.67
ADRA2A P08913 2/20 0.59
ADRA2C P18825 2/20 0.59
ADRA2B P18089 1/20 0.59
HTR1A P08908 1/20 0.54
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
AR P10275 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
SCHEMBL28103549 0.87 ADRA2A (0.69) TAAR1ADRA2AADRA2CADRA2BHTR1A
SCHEMBL955122 0.86 TAAR1 (0.68) TAAR1ADRA2AADRA2CADRA2BHTR1A
SCHEMBL11292270 0.84 TAAR1 (0.56) TAAR1ADRA2AADRA2CADRA2BHTR1A
SCHEMBL953627 0.80 TAAR1 (1.00) TAAR1ADRA2AADRA2CADRA2BHTR1A
SCHEMBL11330597 0.79 TAAR1 (0.54) TAAR1ADRA2AADRA2CADRA2BHTR1A
SCHEMBL11294412 0.79 TAAR1 (0.54) TAAR1ADRA2AADRA2CADRA2BHTR1A
SCHEMBL2775376 0.79 ADRA2A (0.64) TAAR1ADRA2AADRA2CADRA2BHTR1A
SCHEMBL8051573 0.79 ADRA2A (0.59) TAAR1ADRA2AADRA2CADRA2BHTR1A
SCHEMBL1509682 0.79 TAAR1 (0.67) TAAR1ADRA2AADRA2CADRA2BHTR1A
SCHEMBL6112047 0.79 ADRA2A (0.59) TAAR1ADRA2AADRA2CADRA2BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed
EP-0563238-A4 IMIDAZOLYL-ALKENOIC ACIDS SMITHKLINE BEECHAM CORP (US) 1994-08-24 EP disclosed
EP-0563238-A1 IMIDAZOLYL-ALKENOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-10-06 EP disclosed
US-5234917-A Hypotensive agent, treatment of renal failure or glaucoma SMITHKLINE BEECHAM CORPORATION 1993-08-10 US disclosed
EP-0425211-A1 Substituted 5-((tetrazolyl)alkenyl)-imidazoles SMITHKLINE BEECHAM CORPORATION (US) 1991-05-02 EP disclosed
EP-0403158-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed
EP-0403159-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed
EP-0064820-A1 Substituted imidazole and imidazoline derivatives and their preparation and use Farmos-Yhtyma Oy (FI) 1982-11-17 EP disclosed