Sugi Predict

Sugi Predict / Compounds / SCHEMBL5651133

SCHEMBL5651133

SCHEMBL5651133

O=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)N1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 13/20 1.00
▸ HTR2C P28335 7/20 1.00
▸ FAAH O00519 7/20 0.62

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
SCHEMBL5646016 0.99 MCHR1 (0.98) MCHR1HTR2CFAAH
SCHEMBL5650636 0.91 MCHR1 (1.00) MCHR1HTR2CFAAH
SCHEMBL5645048 0.91 MCHR1 (1.00) MCHR1HTR2CFAAH
SCHEMBL5651220 0.91 MCHR1 (1.00) MCHR1HTR2CFAAH
SCHEMBL5646980 0.90 MCHR1 (0.98) MCHR1HTR2CFAAH
SCHEMBL5649051 0.89 MCHR1 (1.00) MCHR1HTR2CFAAH
SCHEMBL2925998 0.87 MCHR1 (0.77) MCHR1HTR2CFAAH
SCHEMBL2925899 0.86 MCHR1 (0.75) MCHR1HTR2CFAAH
SCHEMBL2925581 0.84 MCHR1 (0.73) MCHR1HTR2CFAAH
SCHEMBL2928221 0.84 MCHR1 (0.72) MCHR1HTR2CFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 — — US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 — — US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 — — US disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 — — EP disclosed