SCHEMBL8801566

SCHEMBL8801566

CC(c1cccs1)C(N)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 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 0.46
EPHX1 P07099 1/20 0.42
ANPEP P15144 1/20 0.41
LAP3 P28838 1/20 0.41
TRPA1 O75762 1/20 0.41
HPGD P15428 1/20 0.40
CSNK1E P49674 1/20 0.39
TSHR P16473 1/20 0.39

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
Hydrochloric Acid SCHEMBL8800673 0.98 SLC6A2 (0.47) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL6650848 0.80 EPHX1 (0.42) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL8801211 0.80 TRPA1 (0.46) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL30846613 0.79 EPHX1 (0.48) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL3289195 0.79 EPHX1 (0.48) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL30846601 0.79 EPHX1 (0.48) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL8800678 0.78 TSHR (0.42) SLC6A2TAAR1MAOASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9482622 0.77 EPHX1 (0.47) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL4692960 0.76 TAAR1 (0.67) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL7286460 0.76 TAAR1 (0.67) SLC6A2TAAR1MAOASLC6A4SLC6A3

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
EP-0522956-B1 Preparation of 2-(2-thienyl) ethylamine and synthesis of thieno [3,2-C] pyridine derivatives therefrom SANOFI SA (FR) 1997-02-05 EP disclosed
EP-0522956-A2 Preparation of 2-(2-thienyl) ethylamine and synthesis of thieno [3,2-C] pyridine derivatives therefrom SANOFI (FR) 1993-01-13 EP disclosed