SCHEMBL7396767

SCHEMBL7396767

CCCn1nc(C(=O)NCCN2CCC(N)CC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 9/20 0.48
▸ KCNH2 Q12809 4/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HTR3A P46098 3/20 0.47
▸ CNR1 P21554 5/20 0.47
▸ CNR2 P34972 4/20 0.47
▸ HTR2A P28223 3/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6955741 0.89 MEN1 (0.53) MEN1KMT2ASMN1; SMN2HTR3ACNR1
Hydrochloric Acid SCHEMBL7393720 0.87 KDM4E (0.53) HTR4KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL6955313 0.87 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2HTR3ACNR1
SCHEMBL7395613 0.87 HTR4 (0.52) HTR4KCNH2MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7394157 0.86 KDM4E (0.55) HTR4KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL6948551 0.86 CNR1 (0.53) MEN1KMT2ASMN1; SMN2HTR3ACNR1
SCHEMBL9055133 0.86 CARM1 (0.56) HTR4KCNH2HTR3AHTR2A
SCHEMBL6950281 0.85 CNR1 (0.56) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL6950902 0.85 HSD17B10 (0.51) HTR4KCNH2MEN1KMT2ASMN1; SMN2
Oxalic Acid SCHEMBL7400227 0.85 SLC6A2 (0.54) HTR4KCNH2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0732333-B1 Indazolecarboxamides LILLY CO ELI (US) 2001-08-01 — — EP 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
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
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