SCHEMBL8170446

SCHEMBL8170446

CCCC(N)(N)c1ccc([C](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 3/20 0.36
ESR2 Q92731 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 3/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ATM Q13315 1/20 0.33
NAAA Q02083 1/20 0.33
LMNA P02545 1/20 0.33
PTGS2 P35354 1/20 0.33
AR P10275 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NCOR2 Q9Y618 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
SCHEMBL8173852 0.88 NAAA (0.44) ALDH1A1CES2CES1NAAAPTGS2
SCHEMBL8175284 0.85 MEN1 (0.43) MEN1CYP1A2KMT2AESR1ESR2
SCHEMBL9756593 0.82 KCNN4 (0.46) CYP1A2KCNN4
Ammonia Solution, Strong SCHEMBL7144895 0.81 KCNN4 (0.45) CYP1A2RAB9ALMNAKCNN4
SCHEMBL8172042 0.75 TNF (0.40) MEN1CYP1A2KMT2AESR1ESR2
SCHEMBL27642296 0.72 MAPT (0.41) MEN1KMT2AESR1ESR2ALDH1A1
SCHEMBL16033457 0.72 MEN1 (0.43) MEN1CYP1A2KMT2AESR1ESR2
SCHEMBL847003 0.71 KIF11 (0.44) ESR1ESR2KCNN4
SCHEMBL8216935 0.70 L3MBTL1 (0.53) MEN1KMT2AALDH1A1RAB9AATM
SCHEMBL28193226 0.69 SCN5A (0.42) KCNN4

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
US-6127341-A AMINOMETHYL-N-(1-((2-(2-THIENYL)-1-(1-CARBAMOYL-5 -AMINOPENTYLCARBAMOYL)ETHYL)-N-METHYLCARBAMOYL)-2-(2 -NAPTHYL)ETHYL)BENZAMIDE, FOR EXAMPLE; ADMINISTERING TO STIMULATE GROWTH, MILK OR WOOL PRODUCTION IN ANIMALS NOVO NORDISK A/S (DK) 2000-10-03 US disclosed
EP-1005484-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 2000-06-07 EP disclosed
WO-1998058950-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-12-30 WO disclosed