SCHEMBL8399398

SCHEMBL8399398

COc1ccc(CNC2CC3CCCC(C2)N3C)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
KDM1A O60341 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HTR3A P46098 2/20 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
SCHEMBL8396136 0.82 HTR3E (0.51) KMT2AMEN1SIGMAR1ALDH1A1HTR3A
SCHEMBL1357212 0.82 ALDH1A1 (0.65) KMT2AMEN1TSHRKDM1AALDH1A1
SCHEMBL9387900 0.81 TSHR (0.56) KMT2AMEN1TSHRALDH1A1HTR3A
SCHEMBL10518645 0.81 TSHR (0.56) KMT2AMEN1TSHRALDH1A1HTR3A
SCHEMBL5561161 0.79 ALDH1A1 (0.70) KMT2AMEN1TSHRKDM1AALDH1A1
SCHEMBL923407 0.78 MEN1 (0.64) KMT2AMEN1TSHRLMNAKDM1A
SCHEMBL20794929 0.78 ACHE (0.50) KMT2AMEN1
SCHEMBL5561106 0.77 ALDH1A1 (0.68) KMT2AMEN1TSHRALDH1A1
SCHEMBL20794844 0.77 CHRM1 (0.57) KMT2AMEN1TSHRSIGMAR1HTR3A
SCHEMBL4210269 0.77 MEN1 (0.67) KMT2AMEN1TSHRLMNAKDM1A

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-0748321-B1 PROCESS FOR THE PREPARATION OF AN INDAZOLE-3-CARBOXAMIDE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 1999-06-09 EP claimed
EP-0748321-A1 PROCESS FOR THE PREPARATION OF AN INDAZOLE-3-CARBOXAMIDE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 1996-12-18 EP claimed
WO-1995023799-A1 PROCESS FOR THE PREPARATION OF AN INDAZOLE-3-CARBOXAMIDE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 1995-09-08 WO claimed
EP-0748321-B1 PROCESS FOR THE PREPARATION OF AN INDAZOLE-3-CARBOXAMIDE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 1999-06-09 EP disclosed
EP-0748321-A1 PROCESS FOR THE PREPARATION OF AN INDAZOLE-3-CARBOXAMIDE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 1996-12-18 EP disclosed
WO-1995023799-A1 PROCESS FOR THE PREPARATION OF AN INDAZOLE-3-CARBOXAMIDE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 1995-09-08 WO disclosed