SCHEMBL11438337

SCHEMBL11438337

O=C(OC1CCCC1N(C(=O)CCCl)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ GLA P06280 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TACR1 P25103 1/20 0.34
▸ CHRM2 P08172 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL11435697 0.88 ALDH1A1 (0.45) ALDH1A1KMT2ALMNANPC1RECQL
SCHEMBL11437571 0.83 ALDH1A1 (0.37) ALDH1A1KMT2ALMNANPC1SIGMAR1
SCHEMBL11436721 0.80 ALDH1A1 (0.36) ALDH1A1KMT2ANPC1TSHRSIGMAR1
SCHEMBL11450497 0.79 MAPK1 (0.40) ALDH1A1KMT2ANPC1TSHRSIGMAR1
SCHEMBL11339656 0.78 ALDH1A1 (0.38) ALDH1A1KMT2ALMNANPC1SIGMAR1
SCHEMBL11438333 0.78 ALDH1A1 (0.36) ALDH1A1KMT2ALMNANPC1RECQL
SCHEMBL11434770 0.75 MEN1 (0.39) ALDH1A1KMT2ANPC1SIGMAR1CHRM2
SCHEMBL11446841 0.75 SIGMAR1 (0.40) ALDH1A1KMT2ANPC1SIGMAR1CHRM2
SCHEMBL11454719 0.74 MEN1 (0.38) ALDH1A1KMT2ANPC1SIGMAR1CHRM2
SCHEMBL11437911 0.73 RAB9A (0.37) ALDH1A1KMT2ANPC1SIGMAR1POLB

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
US-4217362-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-08-12 — — US disclosed
US-4212888-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-07-15 — — US disclosed
US-4128663-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1978-12-05 — — US disclosed
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