SCHEMBL8129133

SCHEMBL8129133

CC(CN(C(=O)C1CCCCC1)c1ccccn1)N1CCNC[C@H]1c1cccc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
HTR1A P08908 7/20 0.40
ADRA1A P35348 6/20 0.40
DRD4 P21917 5/20 0.40
ADRA1B P35368 5/20 0.40
ADRA1D P25100 3/20 0.40
HTR7 P34969 3/20 0.40
HTR2B P41595 3/20 0.40
HTR2A P28223 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
HTR1B P28222 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38

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
SCHEMBL4563151 0.85 HTR1A (0.39) OPRM1SMN1; SMN2LMNAHTR1AADRA1A
SCHEMBL4424772 0.85 HTR1A (0.39) OPRM1SMN1; SMN2LMNAHTR1AADRA1A
SCHEMBL8543106 0.84 OPRM1 (0.62) OPRM1SMN1; SMN2LMNAHTR1AADRA1A
SCHEMBL8136251 0.82 HTR1A (0.48) OPRM1SMN1; SMN2LMNAHTR1AADRA1A
SCHEMBL8783440 0.82 HTR1A (0.48) OPRM1SMN1; SMN2LMNAHTR1AADRA1A
SCHEMBL13533328 0.79 OPRM1 (0.55) OPRM1SMN1; SMN2LMNAHTR1AADRA1A
SCHEMBL13533329 0.79 OPRM1 (0.55) OPRM1SMN1; SMN2LMNAHTR1AADRA1A
SCHEMBL8550915 0.77 OPRM1 (0.50) OPRM1SMN1; SMN2LMNAHTR1AADRA1A
SCHEMBL4424774 0.73 OPRM1 (0.56) OPRM1SMN1; SMN2LMNAHTR1AADRA1A
SCHEMBL6429257 0.72 HTR1A (0.47) OPRM1SMN1; SMN2LMNAHTR1AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763031-B1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 2000-05-10 EP disclosed
US-5723464-A CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY OR DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-03 US disclosed