Sugi Predict

Sugi Predict / Compounds / SCHEMBL7225383

SCHEMBL7225383

SCHEMBL7225383

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ncc(Oc2ccc(F)cc2)o1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ABL1 P00519 1/20 0.34

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
SCHEMBL7234091 0.90 SLC6A4 (0.41) SLC6A3
SCHEMBL7234468 0.90 SLC6A3 (0.35) SLC6A3
SCHEMBL7233162 0.90 HTR3E (0.38) SLC6A3
SCHEMBL7225309 0.89 PDE4A (0.35) SLC6A3
SCHEMBL7231360 0.89 SLC6A3 (0.39) SLC6A3KCNH2ABL1
SCHEMBL7231938 0.87 MAPK14 (0.40) SLC6A3
SCHEMBL7224405 0.86 SLC6A3 (0.36) SLC6A3
SCHEMBL7231538 0.85 SLC6A3 (0.42) SLC6A3
SCHEMBL7125184 0.84 MMP2 (0.35) SLC6A3
SCHEMBL7232046 0.84 ALDH1A1 (0.39) SLC6A3

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
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 — — US claimed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 — — US disclosed