SCHEMBL6190098

SCHEMBL6190098

CCC(=O)NCC1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.56
TSHR P16473 1/20 0.53
EPHX1 P07099 2/20 0.47
EPHX2 P34913 1/20 0.47
GNAI3 P08754 3/20 0.46
GNAO1 P09471 3/20 0.46
GNAI1 P63096 3/20 0.46
KDM1A O60341 1/20 0.46
TDP1 Q9NUW8 1/20 0.41
HTR4 Q13639 3/20 0.40
MTNR1A P48039 1/20 0.40
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 1/20 0.39
CHRM1 P11229 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39

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
SCHEMBL16509315 0.89 SLC6A1 (0.47) ALOX15TSHREPHX1EPHX2GNAI3
SCHEMBL10272310 0.89 SLC6A1 (0.47) ALOX15TSHREPHX1EPHX2GNAI3
SCHEMBL256679 0.86
SCHEMBL6189244 0.85 ALOX15 (0.53) ALOX15TSHREPHX1EPHX2GNAI3
SCHEMBL8269740 0.82 FAAH (0.55) ALOX15TSHREPHX1EPHX2GNAI3
SCHEMBL1608481 0.82 MEN1 (0.43) ALOX15TDP1MTNR1AMEN1KMT2A
SCHEMBL21941874 0.82 EPHX1 (0.48) EPHX1TDP1MTNR1AMEN1KMT2A
SCHEMBL9967995 0.82 EPHX1 (0.53) EPHX1TDP1MEN1KMT2AFAAH
SCHEMBL11690 0.81 MEN1 (0.45) ALOX15TSHREPHX1GNAI3GNAO1
SCHEMBL8269753 0.81 GNAI3 (0.59) ALOX15TSHREPHX1EPHX2GNAI3

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
EP-1572669-A2 2,5-DIKETOPIPERAZINES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-09-14 EP claimed
WO-2004048345-A2 2,5-DIKETOPIPERAZINES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-06-10 WO claimed
US-5189045-A Antiserotonine agent ADIR ET COMPAGNIE (FR) 1993-02-23 US disclosed