Piperazine

Piperazine

SCHEMBL10944880

C1CNCCN1.Cn1cc(C(=O)O)cc1C(=O)c1ccccc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Piperazine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC10 Q969S8 5/20 0.51
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2C9 P11712 3/20 0.43
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
SRD5A2 P31213 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2C8 P10632 1/20 0.41
HDAC3 O15379 4/20 0.40
HDAC4 P56524 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC7 Q8WUI4 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC11 Q96DB2 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40

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
SCHEMBL10938419 0.91 HDAC10 (0.55) HDAC10KMT2AALDH1A1TSHRCYP2C9
SCHEMBL10938383 0.82 HDAC10 (0.50) HDAC10KMT2ACYP2C9POLBMEN1
SCHEMBL10944886 0.80 ALDH1A1 (0.46) HDAC10KMT2AALDH1A1USP2TSHR
SCHEMBL10940419 0.78 SRD5A2 (0.56) HDAC10KMT2AALDH1A1CYP2C9POLB
SCHEMBL1149847 0.78 CYP2C9 (0.60) HDAC10KMT2AALDH1A1CYP2C9POLB
SCHEMBL10939166 0.77 HDAC10 (0.51) HDAC10KMT2AALDH1A1CYP2C9POLB
SCHEMBL10944422 0.77 CYP2C9 (0.57) HDAC10KMT2AUSP2TSHRHSD17B10
SCHEMBL10941605 0.77 CYP2C9 (0.53) HDAC10KMT2AALDH1A1HSD17B10CYP2C9
SCHEMBL10940181 0.76 TSHR (0.55) HDAC10KMT2ATSHRPOLBMEN1
SCHEMBL10942637 0.75 KMT2A (0.53) HDAC10KMT2AALDH1A1CYP2C9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4511575-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4511576-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4351843-A LOWERING BLOOD GLUCOSE PFIZER INC. (US) 1982-09-28 US disclosed
US-4282242-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1981-08-04 US disclosed