SCHEMBL9380415

SCHEMBL9380415

CC1(c2ccccc2)c2ccccc2CCN1C(=O)CCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MITF O75030 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
XBP1 P17861 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC9 Q9UKV0 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TP53 P04637 2/20 0.36
KIF11 P52732 1/20 0.36
MAPT P10636 1/20 0.36
OPRL1 P41146 1/20 0.36
ESR1 P03372 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL2791470 0.84 RAB9A (0.43) RAB9ANPC1MITFNPSR1LMNA
SCHEMBL9377883 0.83 ALDH1A1 (0.47) LMNAHTTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL9374240 0.82 ALDH1A1 (0.46) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL9375592 0.75 SIGMAR1 (0.41) SMN1; SMN2ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL13507986 0.73 RAB9A (0.34) RAB9ANPC1MITFNPSR1LMNA
SCHEMBL9374898 0.72 SIGMAR1 (0.48) MEN1KMT2AALDH1A1TP53CYP1A2
SCHEMBL15355355 0.71 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2HDAC9ALDH1A1
SCHEMBL24926025 0.71 ALDH1A1 (0.43) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9374939 0.71 OPRM1 (0.43) MEN1KMT2AALDH1A1TP53CYP1A2
SCHEMBL1404036 0.70 MITF (0.39) MITFMEN1KMT2AHDAC9KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0336228-B1 Tetrahydroisoquinolines and tetrahydrobenzazepines and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1994-11-09 EP disclosed
US-5059608-A Anticonvulsants, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-10-22 US disclosed
EP-0336228-A1 Tetrahydroisoquinolines and tetrahydrobenzazepines and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-11 EP disclosed