SCHEMBL6971968

SCHEMBL6971968

CCOC(=O)c1cccnc1N1CCN(CCC=C2c3cc(Cl)ccc3OCOc3ccc(Cl)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
OPRK1 P41145 2/20 0.40
NPC1 O15118 1/20 0.40
CCR1 P32246 2/20 0.40
CHRM2 P08172 1/20 0.40
CCR5 P51681 1/20 0.40
MAPK10 P53779 1/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 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
SCHEMBL6972127 0.89 OPRK1 (0.43) POLBHSD11B1OPRK1LMNATSHR
SCHEMBL6971128 0.88 CCR1 (0.44) MAPTKDM4EPOLBNPSR1L3MBTL1
Hydrochloric Acid SCHEMBL6969045 0.88 CCR1 (0.43) L3MBTL1KMT2AOPRK1CCR1CHRM2
SCHEMBL6970693 0.83 CCR1 (0.41) L3MBTL1OPRK1CCR1CHRM2CCR5
SCHEMBL6963659 0.80 HRH1 (0.45) HSD11B1OPRK1ALDH1A1HRH1DRD2
SCHEMBL6960366 0.77 HRH1 (0.44) KMT2ACCR1CHRM2CCR5LMNA
Hydrochloric Acid SCHEMBL6960538 0.76 HRH1 (0.43) L3MBTL1KMT2ACCR1CHRM2CCR5
SCHEMBL6960271 0.75 ALDH1A1 (0.42) MAPTKDM4ENPSR1HSD11B1MEN1
SCHEMBL6957294 0.74 OPRK1 (0.44) HSD11B1OPRK1ADRA1AADRA1DADRA1B
SCHEMBL7478560 0.72 ALDH1A1 (0.58) KDM4EPOLBLMNATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934312-B1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK AS (DK) 2003-03-19 EP disclosed
US-6133268-A 1,4-disubstituted piperazines NOVO NORDISK A/S (DK) 2000-10-17 US disclosed
US-6040302-A ANTIINFLAMMATORY AGENTS TREATING RHEUMATOID ARTHRITIS, MIGRAINE OR ITCHING, INSULIN RESISTANCE IN NON-INSULIN-DEPENDENT DIABETES MELLITUS AND AGEING-ASSOCIATED OBESITY NOVO NORDISK A/S (DK) 2000-03-21 US disclosed
US-6004961-A ANTIINFLAMMATORY AGENTS, ANALGESICS; NON-INSULIN-DEPENDENT DIABETES; AGE-RELATED OBESITY; DIBENZO(D,G)(1,3,6)DIOXAZOCINE DERIVATIVES NOVO NORDISK A/S (DK) 1999-12-21 US disclosed
EP-0934312-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998015548-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed