SCHEMBL14064141

SCHEMBL14064141

CO[C@H]([C@@H](C)C(=O)N[C@H](C)C(=O)c1ccccc1)[C@@H]1CCCN1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.46
CHRNA3 P32297 5/20 0.46
PREP P48147 1/20 0.40
FAP Q12884 1/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
ACE P12821 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL22600820 0.82 NPC1 (0.44) CHRNB4CHRNA3ACEKMT2A
SCHEMBL18473157 0.82 CHRNB4 (0.43) CHRNB4CHRNA3HTT
SCHEMBL9892968 0.82 CHRNB4 (0.43) CHRNB4CHRNA3HTT
SCHEMBL26765974 0.82 NPC1 (0.44) CHRNB4CHRNA3ACEKMT2A
SCHEMBL2734906 0.82 CHRNB4 (0.43) CHRNB4CHRNA3HTT
SCHEMBL24736540 0.82 CHRNB4 (0.43) CHRNB4CHRNA3HTT
SCHEMBL22810961 0.80 POLB (0.49) ACEALDH1A1KMT2A
SCHEMBL21699252 0.80 POLB (0.49) ACEALDH1A1KMT2A
SCHEMBL9892967 0.80 POLB (0.49) ACEALDH1A1KMT2A
SCHEMBL2734908 0.80 POLB (0.49) ACEALDH1A1KMT2A

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-7423116-B2 Pentapeptide compounds and uses related thereto SEATTLE GENETICS INC. (US) 2008-09-09 US disclosed
US-7423116-B2 Pentapeptide compounds and uses related thereto SEATTLE GENETICS INC. (US) 2008-09-09 US disclosed