SCHEMBL9874645

SCHEMBL9874645

CON=C(CCCSc1ccc(C)cc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.46
MAPT P10636 1/20 0.42
DRD4 P21917 5/20 0.42
DRD2 P14416 3/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL9874641 1.00 SLC6A4 (0.46) SLC6A4MAPTDRD4DRD2NPC1
SCHEMBL9872892 0.85 SLC6A4 (0.43) SLC6A4DRD4DRD2NPC1RAB9A
SCHEMBL9872891 0.85 SLC6A4 (0.43) SLC6A4DRD4DRD2NPC1RAB9A
SCHEMBL7785539 0.77 CYP1A2 (0.49) SLC6A4DRD4DRD2ALDH1A1LMNA
SCHEMBL9775143 0.77 ALDH1A1 (0.58) DRD2NPC1RAB9AALDH1A1TSHR
SCHEMBL6814945 0.76 HTR7 (0.53) SLC6A4DRD4DRD2LMNAGAA
SCHEMBL18601776 0.76 HTR7 (0.53) SLC6A4DRD4DRD2LMNAGAA
SCHEMBL9872693 0.75 SLC6A4 (0.44) SLC6A4DRD4DRD2GAA
SCHEMBL9872696 0.75 SLC6A4 (0.44) SLC6A4DRD4DRD2GAA
SCHEMBL318891 0.75 SLC6A4 (0.51) SLC6A4DRD4DRD2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039706-A Antiinflammatory, antiallergenic agent DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-08-13 US disclosed