SCHEMBL7971650

SCHEMBL7971650

CCCNC1Cc2c([nH]c3ccc(C(=O)Nc4cnco4)cc23)C(OS(=O)(=O)c2ccc(C)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.35
DRD2 P14416 1/20 0.35
TP53 P04637 4/20 0.33
MAPKAPK2 P49137 3/20 0.32
ENPP1 P22413 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 4/20 0.31
ENPP2 Q13822 1/20 0.31
NAMPT P43490 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL7971643 0.82 HTR1A (0.43) HTR1ADRD2TP53LMNAALDH1A1
SCHEMBL6958771 0.77 HTR1A (0.50) HTR1ADRD2TP53LMNAALDH1A1
SCHEMBL8100872 0.68 HTR1A (0.35) HTR1ADRD2TP53MAPKAPK2MAPT
SCHEMBL6960098 0.65 ALDH1A1 (0.51) HTR1ADRD2LMNAALDH1A1KDM4E
SCHEMBL6958794 0.65 HTR1A (0.48) HTR1ADRD2LMNAALDH1A1
SCHEMBL8110287 0.63 LMNA (0.34) LMNAALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL6953846 0.61 HTR1A (0.49) HTR1ADRD2LMNAALDH1A1
SCHEMBL9336316 0.61 HTR1A (0.58) HTR1ADRD2TP53LMNAALDH1A1
Oxalic Acid SCHEMBL9334144 0.59 HTR1A (0.56) HTR1ADRD2TP53LMNAALDH1A1
SCHEMBL6959602 0.58 RAB9A (0.47) TP53LMNAALDH1A1ADORA1KDM4E

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
US-6221884-B1 Carboxamides useful as 5-HT1F agonists ELI LILLY AND COMPANY 2001-04-24 US disclosed