SCHEMBL8136258

SCHEMBL8136258

CC(CN1CCN(c2c[nH]c3ccccc23)CC1)N(C(=O)C1CCCCC1)c1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
SMN1; SMN2 Q16637 3/20 0.49
ADRA1A P35348 6/20 0.48
DRD4 P21917 5/20 0.47
ADRA1B P35368 5/20 0.47
ADRA1D P25100 3/20 0.47
HTR7 P34969 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2B P41595 3/20 0.47
HTR2A P28223 2/20 0.46
LMNA P02545 2/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
ACHE P22303 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL8010247 0.82 HTR1A (1.00) HTR1AMEN1KMT2ASMN1; SMN2ADRA1A
SCHEMBL7474354 0.82 HTR1A (1.00) HTR1AMEN1KMT2ASMN1; SMN2ADRA1A
SCHEMBL7474356 0.82 HTR1A (1.00) HTR1AMEN1KMT2ASMN1; SMN2ADRA1A
SCHEMBL4424774 0.82 OPRM1 (0.56) HTR1AMEN1KMT2ASMN1; SMN2ADRA1A
SCHEMBL8136249 0.82 HTR1A (0.65) HTR1AMEN1KMT2ASMN1; SMN2ADRA1A
SCHEMBL27351354 0.77 HTR1A (0.73) HTR1AMEN1KMT2ASMN1; SMN2ADRA1A
SCHEMBL27347000 0.77 HTR1A (0.73) HTR1AMEN1KMT2ASMN1; SMN2ADRA1A
SCHEMBL8136251 0.73 HTR1A (0.48) HTR1AMEN1KMT2ASMN1; SMN2ADRA1A
SCHEMBL8783440 0.73 HTR1A (0.48) HTR1AMEN1KMT2ASMN1; SMN2ADRA1A
SCHEMBL6546338 0.72 HTR1A (0.72) HTR1AMEN1KMT2ASMN1; SMN2ADRA1A

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 3 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 claimed
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