SCHEMBL9563276

SCHEMBL9563276

c1cncc(C(OC2CCNCC2)c2ccsc2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 16/20 0.41
▸ SLC6A2 P23975 14/20 0.41
▸ SLC6A3 Q01959 7/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ FAAH O00519 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
SCHEMBL9533194 0.84 FAAH (0.52) SLC6A4SLC6A2SLC6A3CHRNB2CHRNA4
SCHEMBL9563183 0.81 TSHR (0.49) SLC6A4SLC6A2SLC6A3CHRNB2CHRNA4
SCHEMBL900642 0.73 MLKL (0.42) —
SCHEMBL9563370 0.72 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3CHRNB2CHRNA4
SCHEMBL1802062 0.70 DRD3 (0.59) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL2476701 0.69 MAPK1 (0.60) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL3831465 0.67 SMN1; SMN2 (0.62) SLC6A4SLC6A2SLC6A3
SCHEMBL12064964 0.66 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL3298145 0.66 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3CHRNB2CHRNA4
SCHEMBL8601458 0.65 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2

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-0529365-A1 Diarylmethoxypiperidine derivatives Kaken Pharmaceutical Co., Ltd. (JP) 1993-03-03 — — EP disclosed
US-5190959-A Antihistamines, antiallergens, treatment of ischemic heart disease KAKEN PHARMACEUTICAL CO. LTD. (JP) 1993-03-02 — — US disclosed
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