SCHEMBL23314815

SCHEMBL23314815

CNC(=O)[C@H](CCCCN)NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.54
▸ CTSB P07858 1/20 0.53
▸ UTS2R Q9UKP6 11/20 0.47
▸ KDM1A O60341 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ C3AR1 Q16581 1/20 0.44
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ TPSAB1 Q15661 1/20 0.43

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
SCHEMBL23736321 0.91 UTS2R (0.49) CTSBUTS2RHTT
SCHEMBL17282957 0.88 HPGDS (0.59) HPGDSCTSBUTS2RHTTC3AR1
SCHEMBL15764508 0.82 KDM1A (0.67) HPGDSCTSBKDM1A
Hydrochloric Acid SCHEMBL17133718 0.81 KDM1A (0.66) HPGDSCTSBKDM1A
SCHEMBL14818014 0.81 ERAP2 (0.45) HPGDSCTSB
SCHEMBL19135456 0.81 CTSB (0.46) HPGDSCTSBUTS2RKDM1AC3AR1
SCHEMBL19134999 0.81 CTSB (0.46) HPGDSCTSBUTS2RKDM1AC3AR1
SCHEMBL15203231 0.80 ERAP2 (0.49) HPGDSCTSBUTS2RC3AR1
SCHEMBL15200158 0.80 ERAP2 (0.49) HPGDSCTSBUTS2RC3AR1
SCHEMBL23314611 0.80 TDP1 (0.55) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922829-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-08-11 — — EP disclosed
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 — — EP disclosed
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