Sugi Predict

Sugi Predict / Compounds / SCHEMBL7163385

SCHEMBL7163385

SCHEMBL7163385

COc1cc2c(cc1CN[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1c1ccccc1)C(C(F)(F)F)CC2

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 18/20 0.60
▸ CYP2D6 P10635 6/20 0.60
▸ HCRTR2 O43614 1/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ KDM1A O60341 1/20 0.37

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
SCHEMBL7163391 1.00 TACR1 (0.60) TACR1CYP2D6HCRTR2KCNH2KDM1A
SCHEMBL7867884 0.96 TACR1 (0.61) TACR1CYP2D6HCRTR2KDM1A
SCHEMBL7136675 0.96 TACR1 (0.61) TACR1CYP2D6HCRTR2KDM1A
SCHEMBL6405921 0.87 TACR1 (0.44) TACR1CYP2D6HCRTR2
SCHEMBL6605112 0.85 TACR1 (0.43) TACR1CYP2D6HCRTR2
SCHEMBL7600733 0.85 TACR1 (0.43) TACR1CYP2D6HCRTR2
SCHEMBL7138191 0.84 TACR1 (0.49) TACR1CYP2D6HCRTR2KCNH2
SCHEMBL7870308 0.84 TACR1 (0.49) TACR1CYP2D6HCRTR2KCNH2
SCHEMBL8714820 0.84 TACR1 (0.63) TACR1CYP2D6KCNH2
SCHEMBL6604591 0.83 TACR1 (0.42) TACR1CYP2D6HCRTR2

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-6506775-B1 Treatment of a gastrointestinal disorder; a central nervous system (CNS) adverse conditions caused by Heliobacter pylori; or angiogenesis especially CNS disorders in a mammalian subject, especially humans. PFIZER INC 2003-01-14 — — US disclosed