SCHEMBL9516163

SCHEMBL9516163

NCCSc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.58
TRPM8 Q7Z2W7 1/20 0.58
IDO1 P14902 8/20 0.52
TUBB4A P04350 3/20 0.52
TUBB P07437 3/20 0.52
TUBA3C P0DPH7 3/20 0.52
TUBA1B P68363 3/20 0.52
TUBA4A P68366 3/20 0.52
TUBB4B P68371 3/20 0.52
TUBB3 Q13509 3/20 0.52
TUBB2A Q13885 3/20 0.52
TUBB8 Q3ZCM7 3/20 0.52
TUBA3E Q6PEY2 3/20 0.52
TUBA1A Q71U36 3/20 0.52
TUBA1C Q9BQE3 3/20 0.52
TUBB6 Q9BUF5 3/20 0.52
TUBB2B Q9BVA1 3/20 0.52
TUBB1 Q9H4B7 3/20 0.52
GPR84 Q9NQS5 1/20 0.51
F7 P08709 1/20 0.45

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
SCHEMBL8415279 0.86 IDO1 (0.51) HTR2ATRPM8IDO1TUBB4ATUBB
SCHEMBL9514779 0.78 STAT3 (0.59) HTR2AIDO1TUBB4ATUBBTUBA3C
SCHEMBL9516255 0.77 HTR2A (0.61) HTR2ATRPM8IDO1TUBB4ATUBB
SCHEMBL1399487 0.77 HTR2A (0.65) HTR2ATRPM8IDO1TUBB4ATUBB
Hydrochloric Acid SCHEMBL10681278 0.77 STAT3 (0.58) HTR2AIDO1TUBB4ATUBBTUBA3C
SCHEMBL11612855 0.76 IDO1 (0.62) HTR2ATRPM8IDO1TUBB4ATUBB
SCHEMBL28381230 0.75 IDO1 (0.54) HTR2ATRPM8IDO1TUBB4ATUBB
SCHEMBL1399216 0.75 IDO1 (0.62) HTR2ATRPM8IDO1TUBB4ATUBB
SCHEMBL951250 0.74 NR4A2 (0.44) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30724496 0.73 HTR2A (1.00) HTR2ATRPM8GPR84MAPTSLC6A4

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
US-5227488-A AZA SPIRO DECANE AND USE THEREOF IN TREATING CNS DISORDERS NOVO NORDISK A/S (DK) 1993-07-13 US disclosed
EP-0495826-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-29 EP disclosed
WO-1991004973-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-04-18 WO disclosed