SCHEMBL9030697

SCHEMBL9030697

Cc1ccc(F)cc1NC(=O)CN1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
ALDH1A1 P00352 4/20 0.62
TSHR P16473 1/20 0.62
POLB P06746 2/20 0.59
PKM P14618 1/20 0.59
RAB9A P51151 1/20 0.52
MAPT P10636 2/20 0.49
ANXA2 P07355 1/20 0.49
S100A10 P60903 1/20 0.49
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
REV1 Q9UBZ9 1/20 0.47
RAD52 P43351 1/20 0.47

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 SCHEMBL9030247 0.99 MEN1 (0.67) MEN1KMT2AALDH1A1TSHRPOLB
SCHEMBL10677897 0.84 MEN1 (0.56) MEN1KMT2AALDH1A1TSHRPOLB
SCHEMBL9808208 0.81 MEN1 (0.55) MEN1KMT2AALDH1A1TSHRPOLB
SCHEMBL5751507 0.78 ALDH1A1 (0.75) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL1442840 0.77 POLB (0.55) ALDH1A1TSHRPOLBPKMRAB9A
SCHEMBL1080002 0.76 MEN1 (0.65) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL20812868 0.76 LMNA (0.57) MEN1KMT2AALDH1A1TSHRPOLB
SCHEMBL12964242 0.75 ALDH1A1 (0.62) MEN1KMT2AALDH1A1TSHRRAB9A
SCHEMBL1441662 0.75 ALDH1A1 (0.54) KMT2AALDH1A1TSHRPOLBPKM
SCHEMBL7279410 0.74 ALDH1A1 (0.55) MEN1KMT2AALDH1A1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727421-A1 Agents for improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-21 EP disclosed
EP-0285219-A2 Method of improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1988-10-05 EP disclosed