SCHEMBL6159060

SCHEMBL6159060

O=C(N1CCC(O)(c2ccccc2)CC1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
HSD11B1 P28845 1/20 0.49
OPRL1 P41146 9/20 0.48
OPRM1 P35372 8/20 0.48
OPRK1 P41145 8/20 0.48
OPRD1 P41143 7/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.46
DRD2 P14416 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRM4 P08173 1/20 0.44

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
SCHEMBL18701601 0.84 MEN1 (0.51) ALDH1A1CA12CA1CA2CA7
SCHEMBL6159810 0.83 OPRM1 (0.42) HSD11B1OPRM1KMT2A
SCHEMBL27099785 0.83 MGLL (0.43) HSD11B1OPRL1OPRM1
SCHEMBL6047288 0.81 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL795975 0.81 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL521915 0.79 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL10515682 0.78 USP2 (0.57) ALDH1A1CA12CA1CA2CA7
SCHEMBL27138879 0.77 CCR1 (0.52) ALDH1A1CA12CA1CA2CA7
SCHEMBL6160184 0.77 ALDH1A1 (0.63) ALDH1A1POLBDRD2
SCHEMBL13589553 0.75 ALDH1A1 (0.51) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11914294-B2 Positive resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-02-27 US disclosed
US-20220244642-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-08-04 US disclosed
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 EP disclosed
EP-0680962-B1 Heterocyclic compounds ASTRAZENECA AB (SE) 2003-08-20 EP disclosed
US-6355695-B1 ANTIHISTAMINES; ASTHMA THERAPY ZENECA LIMITED (SE) 2002-03-12 US disclosed
US-6235757-B1 ANTIHISTAMINES ZENECA LIMITED (GB) 2001-05-22 US disclosed
US-6051580-A Substituted heterocycles ZENECA LIMITED 2000-04-18 US disclosed
US-5889024-A Substituted heterocycles ZENECA LIMITED (GB) 1999-03-30 US disclosed
US-5739149-A TREATING ASTHMA ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5635509-A ASTHMA; BRONCHODILATOR AGENTS; VASODILATION MICROVASCULAR PERMEABILITY; MAST CELLS ZENECA LIMITED (GB) 1997-06-03 US disclosed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP disclosed
EP-0680962-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1995-11-08 EP disclosed
US-4140781-A Analgesic and neuraleptic 2-piperidinoalkyl-1,4-benzodioxans CIBA-GEIGY CORPORATION (US) 1979-02-20 US disclosed
US-4129655-A Neuroleptic 2-piperidinoalkyl-1,4-benzodioxans CIBA-GEIGY CORPORATION (US) 1978-12-12 US disclosed