SCHEMBL4754591

SCHEMBL4754591

CC(Cc1ccccc1)Oc1cccc(N)c1N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A2 P23975 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
CYP2D6 P10635 1/20 0.42
MCHR1 Q99705 2/20 0.41
SCN4A P35499 1/20 0.40
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SLC18A2 Q05940 1/20 0.38
ADRA2B P18089 1/20 0.37
PTGS1 P23219 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL2841640 0.76 MCHR1 (0.49) MCHR1ALDH1A1ADRA2BPTGS1TDP1
SCHEMBL692289 0.73 CD44 (0.40) MCHR1ALDH1A1ADRA2BPTGS1TDP1
SCHEMBL5883901 0.73 MCHR1 (0.73) MCHR1
SCHEMBL3117209 0.72 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3CYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL2904275 0.72 CD44 (0.39) MCHR1ALDH1A1ADRA2BPTGS1TDP1
SCHEMBL3489533 0.72 MAPT (0.58) MAOATDP1
Hydrochloric Acid SCHEMBL27995888 0.72 CD44 (0.39) MCHR1ALDH1A1ADRA2BPTGS1TDP1
SCHEMBL6333313 0.71 SLC6A4 (0.41) TAAR1SLC6A4SLC6A2SIGMAR1MAOA
SCHEMBL14460831 0.71 ALDH1A1 (0.50) MCHR1ALDH1A1ADRA2BPTGS1TDP1
SCHEMBL14476537 0.71 ALDH1A1 (0.50) MCHR1ALDH1A1ADRA2BPTGS1TDP1

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
CN-117203282-A Molded body for semiconductor device test socket comprising polyimide and method for manufacturing the same (株)大林公司 2023-12-08 CN disclosed
WO-2008153286-A2 AROMATIC DIAMINES WITH A PHOTOREACTIVE AROMATIC SIDE GROUP, POLYAMIC ACID PHOTO-ALIGNMENT LAYERS WITH THEM AND METHOD FOR PREPARING LIQUID CRYSTAL CELLS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-18 WO disclosed