SCHEMBL3537

SCHEMBL3537

CCOC(=O)C1CCC(NCc2ccc(-c3ccccc3C#N)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MYC P01106 1/20 0.43
WDR5 P61964 1/20 0.43
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADAM17 P78536 1/20 0.41
KDM4E B2RXH2 2/20 0.41
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 1/20 0.40
ABL1 P00519 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL3536 1.00 MEN1 (0.44) MEN1KMT2AMYCWDR5RAB9A
SCHEMBL2260 0.89 ATM (0.42) MEN1KMT2AMYCWDR5ALDH1A1
SCHEMBL3059 0.82 CTSB (0.43) MYCWDR5OXTRAVPR1AADAM17
SCHEMBL3057 0.82 CTSB (0.43) MYCWDR5OXTRAVPR1AADAM17
SCHEMBL2934 0.78 GPR119 (0.43) MEN1KMT2ARAB9AALDH1A1OXTR
SCHEMBL2099 0.78 LTB4R2 (0.55) OXTRAVPR1AFFAR1AKR1B1OPRM1
SCHEMBL2100 0.78 LTB4R2 (0.55) OXTRAVPR1AFFAR1AKR1B1OPRM1
SCHEMBL8812256 0.78 HRH3 (0.60) MEN1KMT2ARAB9AOXTRAVPR1A
SCHEMBL2103 0.75 MYC (0.47) MYCWDR5ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9311469 0.75 MME (0.44) MYCWDR5OXTRAVPR1AADAM17

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
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed