SCHEMBL10784335

SCHEMBL10784335

O=C(NC1CCNCC1)c1c[nH]c2ccc(F)cc12

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.69
ALDH1A1 P00352 2/20 0.69
KMT2A Q03164 1/20 0.69
KDM1A O60341 3/20 0.53
SLC6A4 P31645 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
ACKR3 P25106 1/20 0.47
TDO2 P48775 1/20 0.47
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SMYD3 Q9H7B4 2/20 0.46
MLLT1 Q03111 1/20 0.45
TP53 P04637 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
SCHEMBL28809778 0.82 HTR4 (0.60) HTR4ALDH1A1KMT2AKDM1AHTR3E
SCHEMBL29753960 0.82 HTR4 (0.60) HTR4ALDH1A1KMT2AKDM1AHTR3E
SCHEMBL4677480 0.82 HTR3E (0.68) HTR4ALDH1A1KMT2ASLC6A4SMN1; SMN2
SCHEMBL28809209 0.81 HTR4 (0.59) HTR4ALDH1A1KMT2AKDM1ATDO2
SCHEMBL29754034 0.81 HTR4 (0.59) HTR4ALDH1A1KMT2AKDM1ATDO2
SCHEMBL23533891 0.79 HTR4 (0.56) HTR4ALDH1A1KMT2AKDM1ATDO2
SCHEMBL29753901 0.79 HTR4 (0.56) HTR4ALDH1A1KMT2AKDM1ATDO2
SCHEMBL10778966 0.78 SIGMAR1 (0.62) ALDH1A1KMT2A
SCHEMBL29754113 0.77 DYRK1A (0.70) HTR4KDM1A
SCHEMBL28810251 0.77 DYRK1A (0.70) HTR4KDM1A

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-0150505-B1 3-INDOLECARBOXAMIDE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1987-04-01 EP disclosed
EP-0144986-B1 INDOLE-3-CARBOXAMIDE DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1987-03-04 EP disclosed
US-4616009-A PSYCHOLOGICAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-10-07 US disclosed
US-4581355-A HYPOTENSIVE AGENTS, LIPOXYGENASE INHIBITORS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-04-08 US disclosed
EP-0150505-A2 3-Indolecarboxamide compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1985-08-07 EP disclosed
EP-0144986-A2 Indole-3-carboxamide derivatives Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1985-06-19 EP disclosed