SCHEMBL7145054

SCHEMBL7145054

Cc1[nH]c2ccc(NC(=S)N3CCCCC3)cc2c1CCN(C)Cc1ccnc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.41
KDM4E B2RXH2 7/20 0.41
GAA P10253 6/20 0.41
ALDH1A1 P00352 11/20 0.40
MAPT P10636 11/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAD52 P43351 2/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 3/20 0.39
RECQL P46063 1/20 0.39
HTR1F P30939 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 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
SCHEMBL8548267 0.84 KDM4E (0.41) KMT2AKDM4EGAAALDH1A1MAPT
SCHEMBL8550370 0.84 KDM4E (0.41) KMT2AKDM4EGAAALDH1A1MAPT
SCHEMBL8197371 0.83 NPC1 (0.49) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL8180841 0.82 HTR1F (0.44) KMT2AGAAALDH1A1MAPTMAPK1
SCHEMBL7145980 0.81 HTR1F (0.43) KMT2AGAAALDH1A1MAPTMAPK1
SCHEMBL7147572 0.81 MAPT (0.43) KMT2AKDM4EGAAALDH1A1MAPT
SCHEMBL7140235 0.78 ALDH1A1 (0.41) KMT2AKDM4EGAAALDH1A1MAPT
SCHEMBL7141711 0.75 SMN1; SMN2 (0.45) KMT2AKDM4EGAAALDH1A1MAPT
SCHEMBL7146842 0.74 BRD4 (0.47) GAAMAPTSMN1; SMN2HTT
SCHEMBL7145107 0.72 MAPT (0.43) KMT2AKDM4EGAAALDH1A1MAPT

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-0768301-B1 N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists LILLY CO ELI (US) 2003-04-02 EP disclosed
US-6126932-A INSOLUBLE POLYMER BEARING PENDANT SIDE CHAINS, SAID SIDE CHAINS EACH TERMINATING WITH THE 1-(3-(1-PYRROLIDINYL)-PROPYL)-3-ETHYLCARBODIIMIDE MOIETY. ELI LILLY AND COMPANY (US) 2000-10-03 US disclosed
EP-0994109-A2 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide and a solid phase coupling agent ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
US-5998630-A A 1-(3-(1-PYRROLIDINYL)PROPY)-3-ETHYLCARBODIIMIDE ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
EP-0768301-A1 N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists ELI LILLY AND COMPANY (US) 1997-04-16 EP disclosed