SCHEMBL21780647

SCHEMBL21780647

O=C(O)C(c1cnccc1C1CC1)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.36
RBP4 P02753 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
KDM4E B2RXH2 2/20 0.35
BLM P54132 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP17A1 P05093 7/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
IDO1 P14902 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL21784698 0.80 LMNA (0.55) LMNAGAATSHRRBP4KDM4E
SCHEMBL7401885 0.70 GAA (0.70) LMNAGAATSHRKDM4ECYP3A4
SCHEMBL3466786 0.70 LMNA (0.66) LMNAGAACYP3A4KCNA5KCNH2
SCHEMBL21780658 0.69 LMNA (0.39) LMNAGAAKDM4ECYP3A4
SCHEMBL30053721 0.68 KDM4C (0.48) RBP4KDM4E
SCHEMBL20314858 0.68 IDO1 (0.39) CYP17A1IDO1
SCHEMBL2453996 0.66 RBP4 (0.49) RBP4CYP46A1KDM4ECYP2C9
SCHEMBL7798825 0.66 CYP3A4 (0.53) LMNAGAATSHRKDM4ECYP3A4
SCHEMBL25220711 0.65 OPRL1 (0.34) CYP17A1IDO1
SCHEMBL30488141 0.65 OPRL1 (0.34) CYP17A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3617206-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2020-03-04 EP disclosed