SCHEMBL8642136

SCHEMBL8642136

COc1ccc(C2CCCNC23CCCCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 2/20 0.41
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
GRIN2B Q13224 1/20 0.37
SLC22A1 O15245 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
MAOA P21397 3/20 0.36
KDM1A O60341 2/20 0.36
MAOB P27338 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36

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
Hydrochloric Acid SCHEMBL8640891 0.99 HPSE (0.40) HPSEDDB1CRBNGRIN1GRIN2A
SCHEMBL8644567 0.80 HTR3A (0.41) SLC6A4SLC6A3KDM1ASLC6A9
Hydrochloric Acid SCHEMBL8643226 0.79 HTR3A (0.40) SLC6A4SLC6A3KDM1ASLC6A9
SCHEMBL19559433 0.72 DDB1 (0.43) HPSEDDB1CRBNALDH1A1TSHR
SCHEMBL16885997 0.72 DDB1 (0.42) HPSEDDB1CRBNGRIN1GRIN2A
SCHEMBL20041908 0.71 DDB1 (0.44) HPSEDDB1CRBNALDH1A1TSHR
SCHEMBL19559384 0.71 DDB1 (0.44) HPSEDDB1CRBNALDH1A1TSHR
SCHEMBL5691645 0.67 DDB1 (0.40) DDB1CRBNALDH1A1TSHRMAOA
SCHEMBL164122 0.66 MEN1 (0.59) SLC6A4SLC6A3MAOAKDM1AMAOB
SCHEMBL6181098 0.66 MEN1 (0.59) SLC6A4SLC6A3MAOAKDM1AMAOB

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-0667860-B1 AZA SPIRO ALKANES DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1998-08-19 EP claimed
EP-0667860-B1 AZA SPIRO ALKANES DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1998-08-19 EP disclosed
US-5610161-A 1-AZASPIROALKANE DERIVATIVES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS; EATING DISORDERS THE BOOTS COMPANY PLC (GB) 1997-03-11 US disclosed
EP-0667860-A1 AZA SPIRO ALKANES DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1995-08-23 EP disclosed
WO-1994011346-A1 AZA SPIRO ALKANES DERIVATIVES AS THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1994-05-26 WO disclosed