SCHEMBL7979477

SCHEMBL7979477

CCOC(=O)C1(c2ccc(NC)c([N+](=O)[O-])c2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HCAR3 P49019 1/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
OPRM1 P35372 3/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL7424865 0.83 HCAR3 (0.53) KMT2AMEN1CYP1A2TSHRCYP2C19
SCHEMBL7980982 0.81 OPRM1 (0.45) ALOX15OPRM1
SCHEMBL20703536 0.78 MEN1 (0.47) KMT2ALMNAMEN1CYP1A2CYP3A4
SCHEMBL7412565 0.77 HCAR3 (0.57) CYP3A4CYP2C19HCAR3HTTALDH1A1
SCHEMBL15494191 0.75 MEN1 (0.47) KMT2ALMNAMEN1CYP1A2CYP3A4
SCHEMBL3654176 0.74 MEN1 (0.44) KMT2ALMNAMEN1CYP1A2CYP3A4
SCHEMBL3660871 0.74 MEN1 (0.44) KMT2ALMNAMEN1CYP1A2CYP3A4
SCHEMBL12273135 0.74 LMNA (0.68) KMT2ALMNAMEN1CYP1A2CYP3A4
SCHEMBL7410714 0.74 HCAR3 (0.47) KMT2ALMNACYP1A2CYP2C19HCAR3
SCHEMBL7412123 0.74 HSD11B1 (0.48) KMT2ALMNAMEN1CYP1A2TSHR

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
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed