SCHEMBL661906

SCHEMBL661906

O=C=Nc1ccccc1CCc1ccccc1N=C=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.50
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
TSHR P16473 1/20 0.35
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL31109186 1.00 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TSHRTRPA1
SCHEMBL29878868 0.91 CYP3A4 (0.47) CYP3A4GABRA1GABRB2TSHRTRPA1
SCHEMBL27238705 0.91 CYP3A4 (0.47) CYP3A4GABRA1GABRB2TSHRTRPA1
SCHEMBL3682662 0.91 CYP3A4 (0.47) CYP3A4GABRA1GABRB2TSHRTRPA1
SCHEMBL27316850 0.90 CYP3A4 (0.42) CYP3A4GABRA1GABRB2TRPA1ALDH1A1
SCHEMBL2353900 0.90 CYP3A4 (0.45) CYP3A4GABRA1GABRB2TSHRTRPA1
SCHEMBL27912540 0.88 CYP3A4 (0.44) CYP3A4GABRA1GABRB2TSHRTRPA1
SCHEMBL93143 0.88 GABRA1 (0.50) CYP3A4GABRA1GABRB2TSHRTRPA1
SCHEMBL15544 0.86 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TSHRTRPA1
SCHEMBL18701450 0.86 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TSHRTRPA1

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 128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113950497-B Novel granular foam 巴斯夫欧洲公司 2025-05-06 CN claimed
US-20220267553-A1 Novel particle foams BASF SE (DE) 2022-08-25 US claimed
CN-113950497-A Novel particulate foams 巴斯夫欧洲公司 2022-01-18 CN claimed
CN-108977115-A A kind of waterborne polyurethane pressure-sensitive adhesives and the preparation method and application thereof 深圳日高胶带新材料有限公司 2018-12-11 CN claimed
EP-2983474-B1 HERBICIDE COMPOSITION COMPRISING CLOMAZONE AND USE ROTAM AGROCHEM INT CO LTD (HK) 2018-09-19 EP claimed
US-6617368-B2 Isotropic rigid foams BAYER CORPORATION 2003-09-09 US claimed
US-20030134923-A1 ISOTROPIC RIGID FOAMS BAYER POLYMERS LLC 2003-07-17 US claimed
JP-2001505797-A 2001-05-08 JP claimed
EP-0948287-A4 URINARY INCONTINENCE DEVICE UROMED CORP (US) 2001-02-14 EP claimed
EP-0948287-A1 URINARY INCONTINENCE DEVICE UroMed Corporation (US) 1999-10-13 EP claimed
WO-1998025524-A1 URINARY INCONTINENCE DEVICE UROMED CORPORATION (US) 1998-06-18 WO claimed
US-4747953-A Composite membranes based on interpenetrating polymer networks ALLIED CORPORATION (US) 1988-05-31 US claimed
US-4695483-A Method for the preparation of composite membranes based on interpenetrating polymer networks ALLIED CORPORATION (US) 1987-09-22 US claimed
US-4613440-A ISOCYANTE-CAPPED POLYETHER, POLYVINYL PYRIDINE OR PYRROLIDONE, POLYUREA, SEMIPERMEABILITY ALLIED CORPORATION (US) 1986-09-23 US claimed
US-4131693-A Hardenable polyesterurethane composition for producing a directly tinnable wire DR. BECK & CO AG (DE) 1978-12-26 US claimed
US-20250326949-A1 A COATING COMPOSITION PPG INDUSTRIES OHIO, INC. (US) 2025-10-23 US disclosed
CN-113950497-B Novel granular foam 巴斯夫欧洲公司 2025-05-06 CN disclosed
EP-0068820-B1 PROCESS FOR MAKING POLYURETHANE FOAM BP Chemicals Limited (GB) 1985-09-11 EP disclosed
US-4203764-A Polyester or polyurethane coated electrostatic image holding member CANON KABUSHIKI KAISHA (JP) 1980-05-20 US disclosed
US-4131693-A Hardenable polyesterurethane composition for producing a directly tinnable wire DR. BECK & CO AG (DE) 1978-12-26 US disclosed