SCHEMBL9549343

SCHEMBL9549343

NCC1CC12c1ccccc1-c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
HTR2A P28223 9/20 0.45
HTR2C P28335 5/20 0.45
HTR2B P41595 3/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
OPRK1 P41145 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL9549507 0.81 HTR2A (0.42) KMT2AHTR2AHTR2CHTR2BMAOB
SCHEMBL11605887 0.65 HTR2A (0.42) KMT2AHTR2AMAOB
SCHEMBL5398454 0.64 APEX1 (0.47) KMT2AHTR2AMAOBLMNAKDM4E
SCHEMBL9549458 0.64 KMT2A (0.44) KMT2ALMNAGAANPSR1KDM4E
SCHEMBL30949491 0.61 KMT2A (0.42) KMT2AMAOBLMNAKDM4EMEN1
SCHEMBL17050287 0.61 APEX1 (0.48) KMT2AHTR2AMAOBLMNAKDM4E
SCHEMBL11268691 0.60 HTR2A (1.00) KMT2AHTR2AHTR2CHTR2BMAOB
SCHEMBL16601529 0.60 HTR2C (0.55) HTR2AHTR2CHTR2BMAOBKDM4E
SCHEMBL4325901 0.60 PDK2 (0.56) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL30899336 0.60 PDK2 (0.56) KMT2ALMNAKDM4EMEN1MAPT

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-5219839-A Analgesics; anticonvulsant and -epileptic agents; antidepressants; anxiolytic, antiarrhythmic and hypotensive agents; anticoagulants LABORATORIES UPSA (FR) 1993-06-15 US disclosed