SCHEMBL9754886

SCHEMBL9754886

Cc1ccc2[nH]cc(-c3c(C)ccc(C)c3C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ HTR1A P08908 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ ATP4A P20648 1/20 0.43
▸ ATP4B P51164 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40

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
SCHEMBL22044207 0.79 ATM (0.55) ATP4AATP4BKDM4EHSD17B10RAB9A
SCHEMBL13302161 0.79 MAPT (0.43) HTR1DHTR2ASLC6A4HTR1AHTR7
SCHEMBL17831841 0.77 SLC6A4 (0.47) HTR1DHTR2ASLC6A4HTR1AHTR7
SCHEMBL29533760 0.75 SLC6A4 (0.55) HTR1DHTR2ASLC6A4HTR1AHTR7
SCHEMBL29777537 0.74 ATM (0.56) HTR1DHTR2ASLC6A4HTR1AHTR7
SCHEMBL12376 0.74 ATM (0.56) HTR1DHTR2ASLC6A4HTR1AHTR7
SCHEMBL18392203 0.73 MEN1 (0.54) SLC6A4KDM4EHSD17B10LMNAMEN1
SCHEMBL5439985 0.72 SLC6A4 (0.54) HTR1DHTR2ASLC6A4HTR1AHTR7
SCHEMBL12135116 0.72 PIM1 (0.51) HTR1DHTR2ASLC6A4HTR1AHTR7
Ammonia Solution, Strong SCHEMBL23704299 0.72 ATM (0.54) HTR1DHTR2ASLC6A4HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991013071-A1 NOVEL TRISUBSTITUTED PYRROLS, PROCESS FOR THEIR PRODUCTION AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1991-09-05 — — WO disclosed
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