SCHEMBL10747239

SCHEMBL10747239

Cc1ccccc1C1CN(C(C)(C)C)CCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
DRD4 P21917 1/20 0.33
EPHX2 P34913 1/20 0.32
POLB P06746 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
OPRM1 P35372 2/20 0.32
KCNH2 Q12809 2/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH1 P35367 1/20 0.32
OPRK1 P41145 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL12363949 0.80 CNR2 (0.45) HTR2BCHRM2KCNH2SLC6A2SLC6A4
SCHEMBL10749702 0.80 SLC6A2 (0.43) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL9641992 0.80 CNR2 (0.45) HTR2BCHRM2KCNH2SLC6A2SLC6A4
SCHEMBL13093625 0.80 CNR2 (0.45) HTR2BCHRM2KCNH2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL9641424 0.78 CNR2 (0.44) HTR2BCHRM2KCNH2SLC6A2SLC6A4
SCHEMBL10744679 0.75 PDE10A (0.41) HTR2BCHRM2KCNH2
Hydrochloric Acid SCHEMBL10744957 0.74 PDE10A (0.40) HTR2BCHRM2KCNH2
SCHEMBL17886893 0.74 HRH3 (0.45) EPHX2CHRM2CHRM1CHRM3CYP2D6
SCHEMBL2294943 0.73 HTR6 (0.41) DRD4POLBSMN1; SMN2LMNACYP2D6
SCHEMBL2291273 0.73 HTR6 (0.41) DRD4POLBSMN1; SMN2LMNACYP2D6

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-4714699-A CNS AGENTS SOCIETE ANONYME DITE: LABORATOIRE L. LAFON (FR) 1987-12-22 US claimed
EP-0138716-B1 2-TOLYL-MORPHOLINE DERIVATIVES FOR THERAPEUTICAL USE LABORATOIRE L. LAFON Société anonyme dite: (FR) 1987-08-12 EP claimed
US-4714699-A CNS AGENTS SOCIETE ANONYME DITE: LABORATOIRE L. LAFON (FR) 1987-12-22 US disclosed
US-4714699-A CNS AGENTS SOCIETE ANONYME DITE: LABORATOIRE L. LAFON (FR) 1987-12-22 US disclosed