SCHEMBL9681280

SCHEMBL9681280

NC(=O)N1CCN(c2nn(-c3ccccc3F)c3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.44
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
USP2 O75604 2/20 0.44
MAPK1 P28482 2/20 0.43
PTGER1 P34995 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SCN9A Q15858 2/20 0.42
SCN5A Q14524 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42

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
SCHEMBL9680660 0.86 PTGER1 (0.43) LMNATSHRSMN1; SMN2MAPK1PTGER1
SCHEMBL9680606 0.83 TP53 (0.45) LMNAPOLBTSHRSMN1; SMN2USP2
SCHEMBL9681935 0.83 PTGER1 (0.49) LMNATSHRFAAHMGLLUSP2
SCHEMBL9681294 0.81 SCN9A (0.44) MAPTSCN9ASCN10A
Hydrochloric Acid SCHEMBL9682443 0.80 SCN9A (0.43) KDM4EMAPTSCN9ASCN10AALDH1A1
SCHEMBL9763071 0.80 PTGER1 (0.44) LMNASMN1; SMN2MGLLUSP2PTGER1
SCHEMBL9683176 0.79 SCN9A (0.48) LMNATSHRKDM4ECYP1A2MAPT
SCHEMBL9680653 0.79 PTGER1 (0.43) LMNAPOLBTSHRSMN1; SMN2MAPK1
SCHEMBL9763297 0.78 SCN9A (0.46) LMNASMN1; SMN2PTGER1MAPTKMT2A
Hydrochloric Acid SCHEMBL9681905 0.78 SCN9A (0.47) LMNATSHRKDM4ECYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999356-A Analgesics, antidepressants, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-03-12 US claimed
US-5134236-A Analgesics, antidepressants, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-07-28 US disclosed
US-4999356-A Analgesics, antidepressants, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-03-12 US disclosed
EP-0302423-A2 1-Phenyl-3-(1-piperazinyl)-1h-indazoles, a process and intermediates for their preparation, and the use thereof as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-02-08 EP disclosed