SCHEMBL6161217

SCHEMBL6161217

O=C(OCc1ccccc1)N1CCC(N(C(=O)Cc2ccccc2)C(=O)Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CYP2C19 P33261 1/20 0.55
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GRIN2B Q13224 6/20 0.47
HTT P42858 1/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP3A4 P08684 2/20 0.47
GPR119 Q8TDV5 1/20 0.46
PDE4B Q07343 1/20 0.45
USP30 Q70CQ3 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
FAAH O00519 1/20 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
SCHEMBL3436803 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL21016652 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL24359316 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3563742 0.81 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3563739 0.81 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL13012605 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2804463 0.79 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2804464 0.79 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL23706353 0.78 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3614635 0.78 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 WO disclosed