SCHEMBL22136958

SCHEMBL22136958

NC1CCC(c2ccccc2)CCC(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ KDM1A O60341 10/20 0.48
▸ MAOB P27338 10/20 0.48
▸ MAOA P21397 8/20 0.48
▸ RCOR1 Q9UKL0 2/20 0.48
▸ KDM1B Q8NB78 1/20 0.48
▸ GRIN2B Q13224 1/20 0.47
▸ CYP2C19 P33261 5/20 0.46
▸ CYP2B6 P20813 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ HTR2C P28335 1/20 0.46

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
SCHEMBL430023 1.00 SLC18A3 (0.54) SLC18A3SIGMAR1KDM1AMAOBMAOA
SCHEMBL51322 1.00 SLC18A3 (0.54) SLC18A3SIGMAR1KDM1AMAOBMAOA
SCHEMBL430336 1.00 SLC18A3 (0.54) SLC18A3SIGMAR1KDM1AMAOBMAOA
Hydrochloric Acid SCHEMBL15319877 0.98 SLC18A3 (0.52) SLC18A3SIGMAR1KDM1AMAOBMAOA
Hydrochloric Acid SCHEMBL10849250 0.98 SLC18A3 (0.52) SLC18A3SIGMAR1KDM1AMAOBMAOA
Hydrochloric Acid SCHEMBL4040775 0.98 SLC18A3 (0.52) SLC18A3SIGMAR1KDM1AMAOBMAOA
Hydrochloric Acid SCHEMBL4534403 0.95 SLC18A3 (0.50) SLC18A3SIGMAR1KDM1AMAOBMAOA
SCHEMBL8593886 0.91 SLC18A3 (0.47) SLC18A3SIGMAR1KDM1AMAOBMAOA
SCHEMBL20246767 0.88 SLC18A3 (0.44) SLC18A3SIGMAR1KDM1AMAOBMAOA
SCHEMBL9912076 0.87 NPC1 (0.59) SLC18A3SIGMAR1KDM1AMAOBMAOA

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
EP-3670519-A2 CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DISPLAY APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2020-06-24 — — EP disclosed
Send feedback