SCHEMBL7436247

SCHEMBL7436247

OC(c1ccc(F)cc1)(c1ccccn1)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
LMNA P02545 1/20 0.54
CYP2D6 P10635 1/20 0.54
HRH1 P35367 1/20 0.54
SCN1A P35498 1/20 0.54
KMT2A Q03164 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
CYP19A1 P11511 1/20 0.45
HTR1A P08908 6/20 0.41
SLC6A2 P23975 6/20 0.41
SLC6A4 P31645 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPY2R P49146 1/20 0.38
SLC6A3 Q01959 4/20 0.36
HDAC6 Q9UBN7 1/20 0.36
AHR P35869 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
SCHEMBL10733487 0.89 MEN1 (0.69) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL11683141 0.88 CYP19A1 (0.48) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL16291428 0.86 MEN1 (0.56) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL3657243 0.86 MEN1 (0.57) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL7328353 0.82 CYP2D6 (0.81) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL2306732 0.81 MEN1 (0.68) MEN1LMNACYP2D6HRH1SCN1A
Hydrochloric Acid SCHEMBL7442875 0.80 CYP2D6 (0.66) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL10461618 0.79 MEN1 (0.35) MEN1LMNACYP2D6HRH1SCN1A
Hydrochloric Acid SCHEMBL10459095 0.78 CYP2D6 (0.64) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL10460811 0.77 ALDH1A1 (0.52) MEN1LMNAKMT2ASMN1; SMN2L3MBTL1

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
US-5070087-A Aryl(alkyland alkylene)-N-((phenoxy and phenylthio)alkyl) aminoheterocyclics as cardiovascular, anthihistaminic, antisecretory and antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1991-12-03 US disclosed
US-5063235-A 4-[(diaryl)hydromethyl]-1-piperidinealkanols and esters and carbamates thereof useful in the treatment of allergic disorders A. H. ROBINS COMPANY, INC. (US) 1991-11-05 US disclosed
US-5057524-A Asthma, dermatitis A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 US disclosed
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
US-4886794-A ANTIHISTAMINES, ANTIALLERGENS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-12-12 US disclosed
US-4806560-A ANTIHISTAMINES AND ANTISEROTONINE AGENTS SYNTHELABO (FR) 1989-02-21 US disclosed