SCHEMBL9751554

SCHEMBL9751554

COc1ccccc1CCC(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
MAPT P10636 3/20 0.66
MTNR1A P48039 2/20 0.66
CDK4 P11802 1/20 0.64
CCND1 P24385 1/20 0.64
GFER P55789 1/20 0.64
AANAT Q16613 1/20 0.61
ACHE P22303 1/20 0.61
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
PKM P14618 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
BLM P54132 1/20 0.60
GAA P10253 1/20 0.60
ALOX12 P18054 1/20 0.60
HPGD P15428 1/20 0.60

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
SCHEMBL27382648 0.90 L3MBTL1 (0.65) MEN1KMT2AMAPTGAAHPGD
SCHEMBL7677886 0.88 MEN1 (0.84) MEN1KMT2AMAPTMTNR1AGFER
SCHEMBL21255779 0.85 KMT2A (0.69) MEN1KMT2AMAPTMTNR1AGFER
SCHEMBL9303476 0.85 MEN1 (0.71) MEN1KMT2AMAPTMTNR1AGFER
SCHEMBL7849865 0.84 MEN1 (0.74) MEN1KMT2AMAPTMTNR1AGFER
SCHEMBL6306640 0.84 MAPT (0.61) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL7089394 0.84 MAPT (0.61) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL12836579 0.83 MEN1 (0.73) MEN1KMT2AMAPTMTNR1AGFER
Hydrochloric Acid SCHEMBL6306434 0.83 MAPT (0.60) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL761481 0.83 MTNR1A (0.88) MEN1KMT2AMAPTMTNR1AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375726-A4 MELATONIN ANALOGUES 1991-01-30 EP disclosed
EP-0375726-A1 MELATONIN ANALOGUES Whitby Research Incorporated (US) 1990-07-04 EP disclosed
WO-1989001472-A1 MELATONIN ANALOGUES NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-02-23 WO disclosed