SCHEMBL11339672

SCHEMBL11339672

C=CCNC1CCCCCC1N(C(=O)CCCl)c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ BCL2A1 Q16548 6/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ HPGD P15428 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
SCHEMBL11568726 0.97 BCL2A1 (0.33) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL11346436 0.88 TACR2 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL11551323 0.86 CNR2 (0.38) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL11547950 0.85 NPC1 (0.38) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL11569547 0.85 PYGL (0.34) MEN1KMT2ABCL2A1CYP1A2SIGMAR1
SCHEMBL11456610 0.82 ALDH1A1 (0.34) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL11331167 0.82 AGER (0.42) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL11446729 0.82 BCL2A1 (0.37) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL11346088 0.81 SIGMAR1 (0.37) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL11341461 0.79 KMT2A (0.40) MEN1KMT2ANPC1ALDH1A1RAB9A

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-RE30837-E ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-12-29 — — US claimed
US-4169156-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-09-25 — — US claimed
US-RE30837-E ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-12-29 — — US disclosed
US-RE30837-E ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-12-29 — — US disclosed
US-4169156-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-09-25 — — US disclosed
US-4169156-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-09-25 — — US disclosed
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