SCHEMBL6950902

SCHEMBL6950902

CCCn1nc(C(=O)NCCN2CCNCC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CNR1 P21554 6/20 0.46
CNR2 P34972 5/20 0.46
HTR4 Q13639 4/20 0.46
MAPK1 P28482 2/20 0.44
ABCB1 P08183 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR3A P46098 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44

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
Hydrochloric Acid SCHEMBL6952970 0.99 KDM4E (0.53) HSD17B10KDM4EGAAL3MBTL1MEN1
SCHEMBL6953804 0.93 CNR1 (0.56) HSD17B10KDM4EGAAL3MBTL1MEN1
SCHEMBL6955741 0.91 MEN1 (0.53) HSD17B10KDM4EMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7393720 0.89 KDM4E (0.53) HSD17B10KDM4EL3MBTL1MEN1KMT2A
SCHEMBL6955313 0.89 SMN1; SMN2 (0.51) HSD17B10KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6948551 0.88 CNR1 (0.53) HSD17B10KDM4EMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7394157 0.88 KDM4E (0.55) HSD17B10KDM4EL3MBTL1MEN1KMT2A
SCHEMBL6950281 0.87 CNR1 (0.56) HSD17B10KDM4EMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7394611 0.86 KMT2A (0.64) HSD17B10KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6950861 0.85 KDM4E (0.49) HSD17B10KDM4EGAAL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0829474-B1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN SEIFUN GROUP INC (JP) 2003-04-09 EP disclosed
EP-0732333-B1 Indazolecarboxamides LILLY CO ELI (US) 2001-08-01 EP disclosed
US-6096746-A Indazole compound containing a monocyclic amine structure NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-08-01 US disclosed
US-5945434-A TREATMENT OF GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-08-31 US disclosed
US-5817676-A 5-HT4 RECEPTOR ANTAGONISTS, CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1998-10-06 US disclosed
US-5798367-A ANTAGONIZE 5-HYDROXYTRYPTAMINE RECEPTOR IN GASTROINTESTINAL TRACT OR GENITOURINARY TRACT ELI LILLY AND COMPANY (US) 1998-08-25 US disclosed
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 EP disclosed
US-5654320-A SEROTONIN RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 1997-08-05 US disclosed
WO-1996033713-A1 INDAZOLECARBOXAMIDES ELI LILLY AND COMPANY (US) 1996-10-31 WO disclosed
EP-0732333-A1 Indazolecarboxamides ELI LILLY AND COMPANY (US) 1996-09-18 EP disclosed