SCHEMBL7368092

SCHEMBL7368092

NC(Nc1ccccc1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.48
IDO1 P14902 2/20 0.44
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
HTR1E P28566 1/20 0.42
S1PR3 Q99500 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
RAB9A P51151 1/20 0.42
METAP1 P53582 1/20 0.42
CA1 P00915 2/20 0.41
HPGD P15428 1/20 0.41
TEAD4 Q15561 1/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL10709950 0.77 TDP1 (0.43) METAP2IDO1TDP1MEN1KMT2A
SCHEMBL30537465 0.76 CA1 (0.58) IDO1TDP1MEN1KMT2ALMNA
SCHEMBL29050442 0.74 ALDH1A1 (0.53) METAP2IDO1TDP1MEN1KMT2A
SCHEMBL4649302 0.73 TSHR (0.46) METAP2TDP1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL30080220 0.72 METAP2 (0.45) METAP2TDP1EPHX1EPHX2METAP1
SCHEMBL14425907 0.71 TDP1 (0.56) TDP1MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL27150944 0.70 HTR1E (0.63) METAP2MEN1KMT2ALMNAMAPT
SCHEMBL11242555 0.70 RAB9A (0.51) METAP2MEN1KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL27150943 0.70 HTR1E (0.63) METAP2MEN1KMT2ALMNAMAPT
SCHEMBL24741625 0.69 IDO1 (0.58) METAP2IDO1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752981-B1 SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES AND THEIR USE AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-09 EP disclosed
US-5817698-A Substituted cycloalkylamine derivatives and their use as calcium channel antagonists SMITHKLINE BEECHAM PLC (GB) 1998-10-06 US disclosed
EP-0752981-A1 SUBSTITUTED CYCLOALKYLAMINE DERIVATIVES AND THEIR USE AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-01-15 EP disclosed
WO-1995026327-A1 SUBSTITUTED CYCLOALKYLAMINE DERIVATIVES AND THEIR USE AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-05 WO disclosed
EP-0105146-B1 PROCESS FOR PREPARATION OF DIAMINES OR MIXTURES OF DIAMINES BAYER AG (DE) 1985-12-18 EP disclosed
EP-0104396-B1 PROCESS FOR PREPARATION OF DIAMINES OR MIXTURES OF DIAMINES BAYER AG (DE) 1985-11-13 EP disclosed
EP-0105146-A1 Process for preparation of diamines or mixtures of diamines BAYER AG (DE) 1984-04-11 EP disclosed
EP-0105146-A1 Process for preparation of diamines or mixtures of diamines BAYER AG (DE) 1984-04-11 EP disclosed
EP-0104396-A1 Process for preparation of diamines or mixtures of diamines BAYER AG (DE) 1984-04-04 EP disclosed
EP-0104396-A1 Process for preparation of diamines or mixtures of diamines BAYER AG (DE) 1984-04-04 EP disclosed