SCHEMBL9543103

SCHEMBL9543103

NCC1CC1(c1ccccc1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.49
SLC6A4 P31645 5/20 0.49
HTR2C P28335 3/20 0.45
HTR2A P28223 2/20 0.45
HTR2B P41595 2/20 0.45
MAOB P27338 2/20 0.45
ALDH1A1 P00352 4/20 0.41
OPRL1 P41146 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
SLC6A3 Q01959 3/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9541908 0.85 MAOB (0.58) SLC6A2SLC6A4HTR2CHTR2AHTR2B
SCHEMBL9540473 0.73 HTR2C (0.50) SLC6A2SLC6A4HTR2CHTR2AHTR2B
SCHEMBL9542009 0.73 SMN1; SMN2 (0.40) ALDH1A1OPRL1MEN1KMT2ASMN1; SMN2
SCHEMBL9541943 0.67 MAOB (0.48) SLC6A2SLC6A4HTR2CHTR2AHTR2B
SCHEMBL15822840 0.67 DPP4 (0.61) SLC6A2SLC6A4MAOBOPRL1SLC6A3
SCHEMBL30467209 0.67 DPP4 (0.61) SLC6A2SLC6A4MAOBOPRL1SLC6A3
SCHEMBL21834929 0.66 PTGS2 (0.41) HTR2CHTR2AHTR2BMAOBALDH1A1
SCHEMBL20747663 0.66 PTGS2 (0.41) HTR2CHTR2AHTR2BMAOBALDH1A1
SCHEMBL6264514 0.66 MAOB (0.40) HTR2CHTR2AHTR2BMAOBLMNA
SCHEMBL16198410 0.66 MAOA (0.59) SLC6A2SLC6A4MAOBOPRL1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993015100-A1 NOVEL ADENOSINE DERIVATIVES, THEIR PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRES UPSA (FR) 1993-08-05 WO disclosed
US-5219839-A Analgesics; anticonvulsant and -epileptic agents; antidepressants; anxiolytic, antiarrhythmic and hypotensive agents; anticoagulants LABORATORIES UPSA (FR) 1993-06-15 US disclosed