SCHEMBL6629318

SCHEMBL6629318

O=C1OC(=O)C2CCCC1N2C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
P2RX1 P51575 1/20 0.50
P2RX3 P56373 1/20 0.50
P2RX4 Q99571 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ELANE P08246 3/20 0.44

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
SCHEMBL3932386 0.83 HTR2C (0.53) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31295228 0.80 HTR2C (0.50) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL14336080 0.79 HTR2C (0.57) HTR2CP2RX4SMN1; SMN2NPC1RAB9A
SCHEMBL1766231 0.78 HTR2C (0.60) HTR2CP2RX4SMN1; SMN2NPC1RAB9A
SCHEMBL6629621 0.78 HTR2C (0.45) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3941416 0.77 SMN1; SMN2 (0.57) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4431805 0.77 HTR2C (0.72) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL6630038 0.77 HTR2C (0.44) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL27578386 0.76 HTR2C (0.59) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL25125018 0.76 HTR2C (0.61) HTR2CP2RX1P2RX3P2RX4SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098897-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMA (US) 2004-06-09 EP disclosed
US-6630472-B1 Peptidyl-prolyl isomerase inhibitors PFIZER INC 2003-10-07 US disclosed
EP-1098897-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2001-05-16 EP disclosed
WO-2000004020-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2000-01-27 WO disclosed