SCHEMBL11517756

SCHEMBL11517756

CN(C)CCNC1CCCC1N(C(=O)C=CF)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 2/20 0.33
▸ PKM P14618 1/20 0.32
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL11520696 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL11519690 0.74 SMN1; SMN2 (0.44) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL11520152 0.73 KDM4E (0.35) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL11521062 0.70 FASN (0.36) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL11520324 0.69 KDM4E (0.38) TRPM8ALDH1A1KDM4EMEN1NPC1
SCHEMBL11468500 0.68 TRPM8 (0.40) TRPM8ALDH1A1KDM4EMEN1NPC1
SCHEMBL11517772 0.66 KMT2A (0.34) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL11508179 0.66 LMNA (0.33) TRPM8ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL11517299 0.66 KMT2A (0.34) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL11516820 0.65 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1NPC1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4148913-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-04-10 — — US disclosed
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