SCHEMBL8879756

SCHEMBL8879756

COOC(=O)C[C@@H]1C[C@@H](CNC(=O)c2cccc(-c3ccc(C#N)cc3)c2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.38
KAT6A Q92794 1/20 0.38
SENP1 Q9P0U3 1/20 0.36
CHRM4 P08173 1/20 0.35
RAB9A P51151 1/20 0.35
NAMPT P43490 1/20 0.35
PREP P48147 1/20 0.34
PLAU P00749 1/20 0.34
ABCB1 P08183 1/20 0.34
HPGD P15428 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CHRM3 P20309 1/20 0.34
KDM1A O60341 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
MYOF Q9NZM1 1/20 0.34
EGLN2 Q96KS0 1/20 0.34

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
SCHEMBL7278834 0.95 HTR1A (0.39) HTR1AKAT6ASENP1CHRM4RAB9A
Methyl Alcohol SCHEMBL8879759 0.90 HTR1A (0.40) HTR1AKAT6ACHRM4NAMPTPREP
SCHEMBL7274708 0.88 CHRM4 (0.42) HTR1ACHRM4RAB9ANAMPTABCB1
SCHEMBL7273369 0.88 MAOA (0.38) HTR1ACHRM4RAB9ANAMPT
SCHEMBL7284718 0.86 HTR1A (0.42) HTR1ANAMPTCHRM3
SCHEMBL7273026 0.83 NAMPT (0.40) HTR1ARAB9ANAMPT
SCHEMBL7275712 0.83 HTR1A (0.41) HTR1ASENP1CHRM3MYOF
Hydrochloric Acid SCHEMBL7272455 0.83 F10 (0.45) HTR1ASENP1
SCHEMBL7274972 0.82 NAMPT (0.40) HTR1ARAB9ANAMPT
SCHEMBL7281022 0.82 CHRM4 (0.42) CHRM4RAB9ANAMPT

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-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed