Morpholine

Morpholine

SCHEMBL7140370

C1COCCN1.CC(=O)O.Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(C(=O)CN2CCOCC2)CC1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Morpholine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.69
EGFR P00533 6/20 0.69
LCK P06239 5/20 0.69
ITK Q08881 3/20 0.69
JAK3 P52333 1/20 0.60
NUDT14 O95848 1/20 0.59
NUDT5 Q9UKK9 1/20 0.59
KIT P10721 1/20 0.58
FLT3 P36888 1/20 0.58
LYN P07948 1/20 0.56

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
Acetic Acid SCHEMBL6433269 0.96 BTK (0.74) BTKEGFRLCKITKJAK3
SCHEMBL17951522 0.94 BTK (0.77) BTKEGFRLCKITKJAK3
Morpholine SCHEMBL7141268 0.92 BTK (0.65) BTKEGFRLCKITKJAK3
Hydrochloric Acid SCHEMBL29494176 0.90 BTK (0.68) BTKEGFRLCKITKNUDT14
Hydrochloric Acid SCHEMBL28719796 0.90 BTK (0.68) BTKEGFRLCKITKNUDT14
Methylpiperazine SCHEMBL7136284 0.90 BTK (0.67) BTKEGFRLCKITKNUDT14
Acetic Acid SCHEMBL6433244 0.88 BTK (0.73) BTKEGFRLCKITKNUDT14
SCHEMBL6438149 0.87 BTK (0.70) BTKEGFRLCKITKJAK3
SCHEMBL19638288 0.86 BTK (0.75) BTKEGFRLCKITKNUDT14
SCHEMBL5802021 0.85 BTK (0.67) BTKEGFRLCKITKJAK3

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-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed