SCHEMBL631024

SCHEMBL631024

Cc1ccccc1N1CCN(C(=O)O)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.65
AR P10275 6/20 0.64
TSHR P16473 1/20 0.61
ALDH1A1 P00352 2/20 0.58
HTT P42858 2/20 0.58
AVPR1A P37288 1/20 0.56
LMNA P02545 1/20 0.55
MCOLN3 Q8TDD5 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55
FAAH O00519 1/20 0.55
MGLL Q99685 1/20 0.55
POLB P06746 1/20 0.54
MYC P01106 1/20 0.53
ADRB1 P08588 1/20 0.53

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
SCHEMBL16586727 0.94 TSHR (0.59) AKR1C3ARTSHRALDH1A1HTT
SCHEMBL8759118 0.86 ALDH1A1 (0.77) TSHRALDH1A1HTTLMNAKMT2A
SCHEMBL3436305 0.86 ALDH1A1 (0.76) AKR1C3ARTSHRALDH1A1HTT
SCHEMBL3436755 0.84 AKR1C3 (0.63) AKR1C3ARTSHRALDH1A1HTT
SCHEMBL1423351 0.84 AKR1C3 (0.63) AKR1C3ARTSHRALDH1A1HTT
SCHEMBL27237949 0.83 ALDH1A1 (0.55) AKR1C3ARTSHRALDH1A1LMNA
SCHEMBL4291189 0.82 ADRB1 (0.72) AKR1C3ARTSHRALDH1A1HTT
SCHEMBL18701875 0.81 AKR1C3 (0.60) AKR1C3ARTSHRALDH1A1HTT
SCHEMBL19002657 0.81 TSHR (0.68) AKR1C3ARTSHRALDH1A1HTT
SCHEMBL21776417 0.81 TSHR (0.60) AKR1C3ARTSHRALDH1A1HTT

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-2234992-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-02-22 EP claimed
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed
EP-4382521-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shujing Biopharma Co., Ltd (CN) 2024-06-12 EP disclosed
WO-2023011608-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海枢境生物科技有限公司 2023-02-09 WO disclosed
EP-0773937-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1997-05-21 EP disclosed
WO-1996002525-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1996-02-01 WO disclosed