SCHEMBL6664468

SCHEMBL6664468

CCn1cc(C(=O)O)c(=O)c2cc(Cl)c(N3CCN(C)CC3)cc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.77
KDM4E B2RXH2 7/20 0.70
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
ALDH1A1 P00352 4/20 0.70
HPGD P15428 2/20 0.70
NPC1 O15118 1/20 0.70
HSD17B10 Q99714 2/20 0.60
GAA P10253 1/20 0.60
RAD52 P43351 1/20 0.60
BRD4 O60885 1/20 0.60
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
HTT P42858 1/20 0.60
CYP2J2 P51589 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MAPT P10636 1/20 0.57
PIK3CD O00329 1/20 0.56
PIK3R1 P27986 1/20 0.56
PIK3CA P42336 1/20 0.56

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
SCHEMBL11027094 0.91 DRD3 (0.64) DRD3KDM4EMEN1KMT2AALDH1A1
SCHEMBL11386776 0.91 DRD3 (0.63) DRD3KDM4EMEN1KMT2AALDH1A1
SCHEMBL3725425 0.90 DRD3 (0.78) DRD3KDM4EMEN1KMT2AALDH1A1
SCHEMBL11396020 0.90 DRD3 (0.62) DRD3KDM4EMEN1KMT2AALDH1A1
SCHEMBL11391209 0.89 DRD3 (0.62) DRD3KDM4EMEN1KMT2AALDH1A1
SCHEMBL11390037 0.88 DRD3 (0.60) DRD3KDM4EMEN1KMT2AALDH1A1
SCHEMBL11398780 0.88 KDM4E (0.61) DRD3KDM4EMEN1KMT2AALDH1A1
SCHEMBL11386562 0.88 MEN1 (0.61) DRD3KDM4EMEN1KMT2AALDH1A1
SCHEMBL10753542 0.88 KDM4E (0.77) DRD3KDM4EMEN1KMT2AALDH1A1
SCHEMBL13007993 0.88 DRD3 (0.78) DRD3KDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55047658-A None JP disclosed
EP-0831845-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2004-09-08 EP disclosed
US-5854227-A Therapeutic derivatives of diphosphonates ELIZANOR BIOPHARMACUETICALS, INC. 1998-12-29 US disclosed
WO-1996040156-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
US-4448962-A BACTERICIDES KYORIN SEIYAKU KABUSHIKI KAISHA 1984-05-15 US disclosed
US-4292317-A BACTERICIDES FOR GRAM NEGATIVE AND -POSITIVE BACTERIA; ANIMAL GROWTH REGULATORS LABORATORIE ROGER BELLON (FR) 1981-09-29 US disclosed
JP-S5547658-A SUBSTITUTED QUINOLINECARBOXYLIC ACID DERIVATIVE KYORIN PHARMACEUT CO LTD 1980-04-04 JP disclosed