SCHEMBL537203

SCHEMBL537203

Cc1cc(CCN)cc(CCN)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.60
CYP2A6 P11509 2/20 0.56
CYP1A2 P05177 1/20 0.56
HTR2A P28223 3/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40

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
SCHEMBL3849051 0.94 TAAR1 (0.60) TAAR1CYP2A6CYP1A2HTR2AHTR2C
Hydrochloric Acid SCHEMBL5151143 0.92 TAAR1 (0.58) TAAR1CYP2A6CYP1A2HTR2AHTR2C
SCHEMBL14306680 0.91 TAAR1 (0.54) TAAR1CYP2A6CYP1A2HTR2AHTR2C
SCHEMBL17277598 0.89 TAAR1 (0.50) TAAR1CYP2A6CYP1A2HTR2AHTR2C
SCHEMBL64200 0.85 TAAR1 (0.53) TAAR1CYP2A6CYP1A2HTR2AHTR2C
SCHEMBL6907499 0.84 TAAR1 (0.50) TAAR1CYP2A6CYP1A2HTR2AHTR2C
SCHEMBL5045761 0.84 TAAR1 (0.50) TAAR1CYP2A6CYP1A2HTR2AHTR2C
Hydrochloric Acid SCHEMBL6913336 0.82 TAAR1 (0.48) TAAR1CYP2A6CYP1A2HTR2AHTR2C
Hydrochloric Acid SCHEMBL29548682 0.82 TAAR1 (0.48) TAAR1CYP2A6CYP1A2HTR2AHTR2C
SCHEMBL15502971 0.80 TAAR1 (0.56) TAAR1CYP2A6CYP1A2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112266603-A Manufacturing method of composition for load-bearing forklift tires 滁州环球聚氨酯科技有限公司 2021-01-26 CN claimed
EP-2248944-B1 SHOE PRESS BELT FOR PAPERMAKING ICHIKAWA CO LTD (JP) 2012-09-12 EP claimed
EP-2157233-B1 Polyurethane shoe press belt ICHIKAWA CO LTD (JP) 2012-07-25 EP claimed
EP-2169112-B1 SHOE PRESS BELT FOR PAPER MAKING ICHIKAWA CO LTD (JP) 2012-02-08 EP claimed
CN-112266603-A Manufacturing method of composition for load-bearing forklift tires 滁州环球聚氨酯科技有限公司 2021-01-26 CN disclosed
EP-0996655-B1 THIXOTROPIC TWO-COMPONENT POLYURETHANE SYSTEMS SIKA GMBH (DE) 2003-08-06 EP disclosed
EP-0996655-A1 THIXOTROPIC TWO-COMPONENT POLYURETHANE SYSTEMS Sika Chemie GmbH (DE) 2000-05-03 EP disclosed
WO-1999002578-A1 THIXOTROPIC TWO-COMPONENT POLYURETHANE SYSTEMS SIKA CHEMIE GMBH (DE) 1999-01-21 WO disclosed