SCHEMBL16626903

SCHEMBL16626903

C[C@@H](N)C(=O)NCC(=O)NCCc1ccc(NC(=O)CN(Cc2ccccn2)Cc2ccccn2)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TERT O14746 1/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 2/20 0.39
CNR1 P21554 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL20393572 0.89 HTT (0.43) HTTTAS1R3TAS1R1ADRB1ADRB3
SCHEMBL16626931 0.88 HTT (0.47) HTTTAS1R3TAS1R1ADRB1ADRB3
SCHEMBL18030910 0.88 HTT (0.47) HTTTAS1R3TAS1R1ADRB1ADRB3
Hydrochloric Acid SCHEMBL18010330 0.88 HTT (0.46) HTTTAS1R3TAS1R1ADRB1ADRB3
Hydrochloric Acid SCHEMBL18010329 0.88 HTT (0.46) HTTTAS1R3TAS1R1ADRB1ADRB3
SCHEMBL16620250 0.82 CNR1 (0.46) HTTTAS1R3TAS1R1ADRB1ADRB3
SCHEMBL20393580 0.82 HTT (0.47) HTTTAS1R3TAS1R1ADRB1ADRB3
SCHEMBL18010313 0.81 HTT (0.49) HTTTAS1R3TAS1R1ADRB1ADRB3
SCHEMBL20798468 0.81 HTT (0.47) HTTTAS1R3TAS1R1ADRB1ADRB3
SCHEMBL16619343 0.81 POLB (0.46) HTTTAS1R3TAS1R1ADRB1ADRB3

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
WO-2015049546-A1 INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY UNIVERSITETET I OSLO (NO) 2015-04-09 WO disclosed