SCHEMBL8801701

SCHEMBL8801701

O=C(NCC(Cc1ccccc1)c1cccs1)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 2/20 0.41
TAAR1 Q96RJ0 2/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 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
SCHEMBL8800500 0.78 MTNR1A (0.36) MTNR1AMTNR1BTSHRCYP2C9CYP2C19
SCHEMBL9570187 0.78 TSHR (0.43) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7277764 0.74 MIF (0.53) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8309560 0.74 TSHR (0.44) MTNR1AMTNR1BTSHRALDH1A1NPC1
SCHEMBL27477104 0.72 MME (0.50)
SCHEMBL8800805 0.72 PPARG (0.41) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5647796 0.72 TRPA1 (0.43) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8801705 0.71 PPARG (0.40) TSHRALDH1A1CYP2C9CYP2C19CYP2D6
SCHEMBL23766641 0.70 PRMT5 (0.59) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL15890234 0.70 HPGD (0.60) TSHRALDH1A1NPC1RAB9ASMN1; SMN2

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