SCHEMBL7145107

SCHEMBL7145107

Cc1[nH]c2ccc(NC(=S)N3CCNCC3)cc2c1CCN(C)Cc1ccc2ccncc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.43
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 4/20 0.43
LMNA P02545 4/20 0.43
KMT2A Q03164 8/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 6/20 0.41
GAA P10253 3/20 0.41
EPHB2 P29323 1/20 0.41
MAPK1 P28482 1/20 0.40
ATM Q13315 3/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTR1F P30939 1/20 0.38

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
SCHEMBL8551238 0.86 ROCK1 (0.37) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8547927 0.86 ROCK1 (0.37) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8194168 0.85 TLR9 (0.43) KMT2ASMN1; SMN2MEN1RAB9A
SCHEMBL7140235 0.81 ALDH1A1 (0.41) MAPTALDH1A1NPSR1LMNAKMT2A
SCHEMBL8191020 0.81 HTR1F (0.42) MAPTALDH1A1NPSR1LMNAKMT2A
SCHEMBL7141367 0.79 HTR1F (0.42) MAPTALDH1A1NPSR1LMNAKMT2A
SCHEMBL7138773 0.76 IMPDH2 (0.45) MAPTALDH1A1NPSR1LMNAKMT2A
SCHEMBL7145054 0.72 KMT2A (0.41) MAPTALDH1A1NPSR1LMNAKMT2A
SCHEMBL7141711 0.72 SMN1; SMN2 (0.45) MAPTALDH1A1NPSR1LMNAKMT2A
SCHEMBL8548082 0.70 MKNK1 (0.38)

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