SCHEMBL9547537

SCHEMBL9547537

CCN(CC)C(=O)NC1CCC1

nearest known ligand 0.89

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
KMT2A Q03164 1/20 0.45
EPHX1 P07099 8/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ADRA2A P08913 1/20 0.42
PDE4A P27815 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD2 P14416 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.41
EPHX2 P34913 1/20 0.41
PKM P14618 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL7560180 0.94 KMT2A (0.51) USP2KMT2AEPHX1KDM4EALDH1A1
SCHEMBL11049209 0.91 DRD2 (0.47) USP2KMT2AEPHX1KDM4EALDH1A1
SCHEMBL11044933 0.91 DRD2 (0.47) USP2KMT2AEPHX1KDM4EALDH1A1
SCHEMBL7563697 0.79 EPHX1 (0.51) KMT2AEPHX1KDM4EALDH1A1ADRA2A
SCHEMBL23169461 0.76 PKM (0.50) KMT2AEPHX1KDM4EALDH1A1ADRA2A
SCHEMBL11723708 0.74 DRD2 (0.45) USP2DRD2
SCHEMBL20018428 0.73 ALDH1A1 (0.48) KMT2AEPHX1KDM4EALDH1A1ADRA2A
SCHEMBL9547549 0.72 EPHX1 (0.54) EPHX1KDM4EALDH1A1ADRA2APDE4A
SCHEMBL7021364 0.72 CCR5 (0.48) EPHX1KDM4EALDH1A1NPC1RAB9A
SCHEMBL3483037 0.72 EPHX1 (0.45) EPHX1KDM4EALDH1A1ADRA2APDE4A

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-5194660-A Processes for producing carbamates and isocyanates UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-16 US disclosed
EP-0083096-B1 PRODUCTION OF URETHANE COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-02-25 EP disclosed
US-4621149-A PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-11-04 US disclosed