SCHEMBL27585360

SCHEMBL27585360

NCc1ccccc1N1CC[CH]CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ HTR1A P08908 3/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ PNMT P11086 2/20 0.38
▸ KEAP1 Q14145 1/20 0.37
▸ MC4R P32245 1/20 0.37
▸ OPRL1 P41146 2/20 0.36
▸ DPP4 P27487 2/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35

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
SCHEMBL111729 0.84 NCF1 (0.72) NCF1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL16814882 0.84 NCF1 (0.77) NCF1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL110730 0.82 NCF1 (0.70) NCF1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL16814951 0.82 NCF1 (0.70) NCF1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL29505669 0.79 NCF1 (0.87) NCF1KDM4EHTR1AADRA2CBRD4
SCHEMBL16814952 0.79 NCF1 (0.57) NCF1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL111193 0.79 NCF1 (0.57) NCF1ALDH1A1RAB9ABRD4MEN1
SCHEMBL110927 0.79 NCF1 (0.87) NCF1KDM4EHTR1AADRA2CBRD4
SCHEMBL28753504 0.78 NCF1 (0.55) NCF1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL24018758 0.77 MEN1 (0.62) NCF1KDM4EALDH1A1MC4RMEN1

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
CN-1538956-A Spiro compounds ������ҩ��ʽ���� 2004-10-20 — — CN disclosed
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