SCHEMBL7147572

SCHEMBL7147572

Cc1[nH]c2ccc(NC(=S)N3CCN(c4ccccc4)CC3)cc2c1CCN(C)Cc1cccc2ncncc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.43
ALDH1A1 P00352 11/20 0.43
KDM4E B2RXH2 9/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 6/20 0.37
RAD52 P43351 2/20 0.37
PKM P14618 1/20 0.37
BLM P54132 1/20 0.37
PHGDH O43175 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL8552755 0.86 KDM4E (0.43) MAPTALDH1A1KDM4ERAB9AKMT2A
SCHEMBL8552959 0.86 KDM4E (0.43) MAPTALDH1A1KDM4ERAB9AKMT2A
SCHEMBL7145054 0.81 KMT2A (0.41) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL8181305 0.78 EGFR (0.41) MAPTALDH1A1KDM4ERAB9AKMT2A
SCHEMBL8192418 0.77 HSP90AA1 (0.38) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL7141353 0.75 HTR1F (0.36) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL7141711 0.71 SMN1; SMN2 (0.45) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL7140235 0.70 ALDH1A1 (0.41) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL7145107 0.69 MAPT (0.43) MAPTALDH1A1KDM4ERAB9AKMT2A
SCHEMBL8180841 0.69 HTR1F (0.44) MAPTALDH1A1KMT2AMEN1MAPK1

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