SCHEMBL11550476

SCHEMBL11550476

Cc1ccc(N(C(=O)CCCl)C2CCCCCC2N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ HPGD P15428 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ MLYCD O95822 1/20 0.33

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
SCHEMBL11465500 0.96 KMT2A (0.37) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11546724 0.89 MEN1 (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11341133 0.86 RAB9A (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11454719 0.85 MEN1 (0.38) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11446547 0.82 NPC1 (0.38) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11436730 0.82 ALDH1A1 (0.38) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11341247 0.80 NPC1 (0.36) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11450504 0.79 ALDH1A1 (0.36) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11332175 0.77 SIGMAR1 (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11549690 0.77 OPRD1 (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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
US-4159339-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-06-26 — — US disclosed
US-4156014-A N-(2-aminocycloheptyl)alkanoylanilides and in the treatment of depression THE UPJOHN COMPANY (US) 1979-05-22 — — US disclosed
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