SCHEMBL11179891

SCHEMBL11179891

CCCCCCCOc1ccc(-c2ncc3c(n2)CCC(C)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ NPC1 O15118 7/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ RARB P10826 3/20 0.41
▸ HPGD P15428 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NR5A1 Q13285 1/20 0.38

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
SCHEMBL11184440 1.00 MAPT (0.46) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL11181130 1.00 MAPT (0.46) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL11176051 0.99 MAPT (0.47) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL11189087 0.97 MAPT (0.48) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL11181517 0.92 MAPT (0.44) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL11186620 0.88 NPC1 (0.44) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL11182184 0.88 NPC1 (0.44) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL11181988 0.88 NPC1 (0.44) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL11184087 0.87 MAPT (0.42) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL11189628 0.87 SMN1; SMN2 (0.41) MAPTLMNANPC1RAB9AKDM4E

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-4402849-A DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-09-06 — — US disclosed
EP-0031021-B1 TETRAHYDROQUINAZOLINES, PROCESS FOR THEIR PREPARATION, LIQUID CRYSTALLINE DIELECTRICS CONTAINING THEM AND ELECTRO-OPTICAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1983-05-18 — — EP disclosed
EP-0031021-A1 Tetrahydroquinazolines, process for their preparation, liquid crystalline dielectrics containing them and electro-optical display element MERCK PATENT GmbH (DE) 1981-07-01 — — EP disclosed
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