SCHEMBL11640444

SCHEMBL11640444

CN(C)CCCN1C(=O)C2(CCCC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.58
CYP1A2 P05177 3/20 0.58
KMT2A Q03164 3/20 0.58
HRH1 P35367 5/20 0.49
LMNA P02545 5/20 0.49
OPRM1 P35372 5/20 0.49
SLC6A4 P31645 5/20 0.49
MAPT P10636 4/20 0.49
HTR1A P08908 4/20 0.49
DRD2 P14416 4/20 0.49
HTR2A P28223 4/20 0.49
HTR6 P50406 4/20 0.49
OPRK1 P41145 4/20 0.49
SCN1A P35498 3/20 0.49
SCN2A Q99250 3/20 0.49
SCN3A Q9NY46 3/20 0.49
SLC22A1 O15245 3/20 0.49
CHRM2 P08172 3/20 0.49
CHRM4 P08173 3/20 0.49
CHRM5 P08912 3/20 0.49

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
SCHEMBL11639729 0.99 CYP2D6 (0.57) CYP2D6CYP1A2KMT2AHRH1LMNA
SCHEMBL11639051 0.85 HRH1 (0.51) CYP2D6CYP1A2KMT2AHRH1LMNA
SCHEMBL11640714 0.84 HRH1 (0.50) CYP2D6CYP1A2KMT2AHRH1LMNA
SCHEMBL11640990 0.83 CYP1A2 (0.51) CYP2D6CYP1A2KMT2AHRH1LMNA
SCHEMBL11643398 0.83 KCNK2 (0.51) CYP2D6CYP1A2KMT2AHRH1LMNA
SCHEMBL11641956 0.83 ACHE (0.39) CYP2D6CYP1A2KMT2AOPRM1OPRK1
SCHEMBL11640502 0.82 LMNA (0.49) LMNAOPRM1SLC6A4OPRK1SCN1A
SCHEMBL11642307 0.82 SLC6A2 (0.55) CYP2D6CYP1A2KMT2AHRH1LMNA
SCHEMBL11640552 0.81 CYP2D6 (0.78) CYP2D6CYP1A2KMT2AHRH1LMNA
SCHEMBL11642210 0.80 MAOB (0.52) OPRM1OPRK1SIGMAR1OPRL1

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-4123543-A ANTIDEPRESSANTS AB KABI (SE) 1978-10-31 US claimed
US-4123543-A ANTIDEPRESSANTS AB KABI (SE) 1978-10-31 US disclosed
US-4117144-A ANTIDEPRESSANTS AB KABI (SE) 1978-09-26 US disclosed
US-3947451-A TREATMENT OF PSYCHIATRIC AND PSYCHOSOMATIC DISEASES AB KABI (SW) 1976-03-30 US disclosed